Improved logging + current optuna studies

protac_degradation_predictor/optuna_utils.py

@@ -37,6 +37,7 @@ def pytorch_model_objective(
         train_val_df: pd.DataFrame,
         kf: StratifiedKFold | StratifiedGroupKFold,
         groups: Optional[np.array] = None,
+        test_df: Optional[pd.DataFrame] = None,
         hidden_dim_options: List[int] = [256, 512, 768],
         batch_size_options: List[int] = [8, 16, 32],
         learning_rate_options: Tuple[float, float] = (1e-5, 1e-3),
@@ -107,12 +108,13 @@ def pytorch_model_objective(
 
         # At each fold, train and evaluate the Pytorch model
         # Train the model with the current set of hyperparameters
-        _, _, metrics = train_model(
+        _, trainer, metrics = train_model(
             protein2embedding=protein2embedding,
             cell2embedding=cell2embedding,
             smiles2fp=smiles2fp,
             train_df=train_df,
             val_df=val_df,
+            test_df=test_df,
             hidden_dim=hidden_dim,
             batch_size=batch_size,
             join_embeddings=join_embeddings,
@@ -127,7 +129,9 @@ def pytorch_model_objective(
             active_label=active_label,
             disabled_embeddings=disabled_embeddings,
         )
+        train_metrics = {m: v.item() for m, v in trainer.callback_metrics.items() if 'train' in m}
         stats.update(metrics)
+        stats.update(train_metrics)
         report.append(stats.copy())
 
     # Get the average validation accuracy and ROC AUC accross the folds
@@ -153,6 +157,7 @@ def hyperparameter_tuning_and_training(
         n_models_for_test: int = 3,
         fast_dev_run: bool = False,
         n_trials: int = 50,
+        logger_save_dir: str = 'logs',
         logger_name: str = 'protac_hparam_search',
         active_label: str = 'Active',
         max_epochs: int = 100,
@@ -204,6 +209,7 @@ def hyperparameter_tuning_and_training(
                 train_val_df=train_val_df,
                 kf=kf,
                 groups=groups,
+                test_df=test_df,
                 hidden_dim_options=hidden_dim_options,
                 batch_size_options=batch_size_options,
                 learning_rate_options=learning_rate_options,
@@ -220,21 +226,22 @@ def hyperparameter_tuning_and_training(
     cv_report = pd.DataFrame(study.best_trial.user_attrs['report'])
     hparam_report = pd.DataFrame([study.best_params])
 
-    test_report = []
     # Retrain N models with the best hyperparameters (measure model uncertainty)
+    test_report = []
     for i in range(n_models_for_test):
         pl.seed_everything(42 + i + 1)
-        _, _, metrics = train_model(
+        _, trainer, metrics = train_model(
             protein2embedding=protein2embedding,
             cell2embedding=cell2embedding,
             smiles2fp=smiles2fp,
             train_df=train_val_df,
             val_df=test_df,
-            use_logger=True,
             fast_dev_run=fast_dev_run,
             active_label=active_label,
             max_epochs=max_epochs,
             disabled_embeddings=[],
+            use_logger=True,
+            logger_save_dir=logger_save_dir,
             logger_name=f'{logger_name}_best_model_n{i}',
             enable_checkpointing=True,
             checkpoint_model_name=f'best_model_n{i}_{split_type}',
@@ -242,12 +249,20 @@ def hyperparameter_tuning_and_training(
         )
         # Rename the keys in the metrics dictionary
         metrics = {k.replace('val_', 'test_'): v for k, v in metrics.items()}
-        metrics = {k.replace('train_', 'train_val_'): v for k, v in metrics.items()}
         metrics['model_type'] = 'Pytorch'
         metrics['test_model_id'] = i
         metrics['test_len'] = len(test_df)
         metrics['test_active_perc'] = test_df[active_label].sum() / len(test_df)
         metrics['test_inactive_perc'] = (len(test_df) - test_df[active_label].sum()) / len(test_df)
+
+        # Add the training metrics        
+        train_metrics = {m.replace('train_', 'train_val_'): v.item() for m, v in trainer.callback_metrics.items() if 'train' in m}
+        logging.info(f'Training metrics: {train_metrics}')
+        logging.info(f'Training trainer.logged_metrics: {trainer.logged_metrics}')
+        logging.info(f'Training trainer.callback_metrics: {trainer.callback_metrics}')
+        
+        metrics.update(train_metrics)
+
         test_report.append(metrics.copy())
     test_report = pd.DataFrame(test_report)
 
@@ -266,16 +281,21 @@ def hyperparameter_tuning_and_training(
             fast_dev_run=fast_dev_run,
             active_label=active_label,
             max_epochs=max_epochs,
-            use_logger=True,
+            use_logger=False,
+            logger_save_dir=logger_save_dir,
             logger_name=f'{logger_name}_disabled-{"-".join(disabled_embeddings)}',
             disabled_embeddings=disabled_embeddings,
             **study.best_params,
         )
         # Rename the keys in the metrics dictionary
         metrics = {k.replace('val_', 'test_'): v for k, v in metrics.items()}
-        metrics = {k.replace('train_', 'train_val_'): v for k, v in metrics.items()}
         metrics['disabled_embeddings'] = 'disabled ' + ' '.join(disabled_embeddings)
         metrics['model_type'] = 'Pytorch'
+
+        # Add the training metrics        
+        train_metrics = {m.replace('train_', 'train_val_'): v.item() for m, v in trainer.callback_metrics.items() if 'train' in m}
+        metrics.update(train_metrics)
+
         ablation_report.append(metrics.copy())
     ablation_report = pd.DataFrame(ablation_report)
 

protac_degradation_predictor/pytorch_models.py

@@ -372,6 +372,7 @@ def train_model(
         active_label: str = 'Active',
         fast_dev_run: bool = False,
         use_logger: bool = True,
+        logger_save_dir: str = '../logs',
         logger_name: str = 'protac',
         enable_checkpointing: bool = False,
         checkpoint_model_name: str = 'protac',
@@ -423,10 +424,18 @@ def train_model(
             smiles2fp,
             active_label=active_label,
         )
-    logger = pl.loggers.TensorBoardLogger(
-        save_dir='../logs',
-        name=logger_name,
-    )
+    loggers = [
+        pl.loggers.TensorBoardLogger(
+            save_dir=logger_save_dir,
+            version=logger_name,
+            name=logger_name,
+        ),
+        pl.loggers.CSVLogger(
+            save_dir=logger_save_dir,
+            version=logger_name,
+            name=logger_name,
+        ),
+    ]
     callbacks = [
         pl.callbacks.EarlyStopping(
             monitor='train_loss',
@@ -434,6 +443,12 @@ def train_model(
             mode='min',
             verbose=False,
         ),
+        pl.callbacks.EarlyStopping(
+            monitor='train_acc',
+            patience=10,
+            mode='max',
+            verbose=False,
+        ),
         pl.callbacks.EarlyStopping(
             monitor='val_loss',
             patience=5,
@@ -456,7 +471,7 @@ def train_model(
         ))
     # Define Trainer
     trainer = pl.Trainer(
-        logger=logger if use_logger else False,
+        logger=loggers if use_logger else False,
         callbacks=callbacks,
         max_epochs=max_epochs,
         fast_dev_run=fast_dev_run,

reports/cv_report_5-splits.csv

@@ -1,16 +0,0 @@
-fold,group_type,train_len,val_len,train_active_perc,train_inactive_perc,val_active_perc,val_inactive_perc,num_leaking_uniprot,num_leaking_smiles,val_loss,val_acc,val_f1_score,val_hp_metric,val_opt_score,val_precision,val_recall,val_roc_auc,test_loss,test_acc,test_f1_score,test_hp_metric,test_opt_score,test_precision,test_recall,test_roc_auc,train_unique_groups,val_unique_groups,test_active_perc,test_inactive_perc
-0,random,859,215,0.259604190919674,0.7403958090803261,0.26046511627906976,0.7395348837209302,47,119,0.32951581478118896,0.8604651093482971,0.7540983557701111,0.8604651093482971,1.6145634651184082,0.6969696879386902,0.8214285969734192,0.936657726764679,0.8791427612304688,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.0,,,0.07692307692307693,0.9230769230769231
-1,random,859,215,0.259604190919674,0.7403958090803261,0.26046511627906976,0.7395348837209302,47,102,0.5149048566818237,0.804651141166687,0.6315789222717285,0.804651141166687,1.4362300634384155,0.6206896305084229,0.6428571343421936,0.8723045587539673,0.6578966379165649,0.9230769276618958,0.0,0.9230769276618958,0.9230769276618958,0.0,0.0,0.08333331346511841,,,0.07692307692307693,0.9230769230769231
-2,random,859,215,0.259604190919674,0.7403958090803261,0.26046511627906976,0.7395348837209302,50,93,0.466389000415802,0.8186046481132507,0.6776859760284424,0.8186046481132507,1.496290683746338,0.6307692527770996,0.7321428656578064,0.8792678117752075,0.8081092834472656,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.08333331346511841,,,0.07692307692307693,0.9230769230769231
-3,random,859,215,0.259604190919674,0.7403958090803261,0.26046511627906976,0.7395348837209302,48,102,0.5054850578308105,0.8186046481132507,0.7111111283302307,0.8186046481132507,1.5297157764434814,0.607594907283783,0.8571428656578064,0.9024034142494202,0.7945694327354431,0.7692307829856873,0.0,0.7692307829856873,0.7692307829856873,0.0,0.0,0.08333331346511841,,,0.07692307692307693,0.9230769230769231
-4,random,860,214,0.26046511627906976,0.7395348837209302,0.2570093457943925,0.7429906542056075,43,108,0.4100916087627411,0.8691588640213013,0.7704917788505554,0.8691588640213013,1.639650583267212,0.7014925479888916,0.8545454740524292,0.9222984313964844,0.7853931188583374,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.0,,,0.07692307692307693,0.9230769230769231
-0,uniprot,893,181,0.28331466965285557,0.7166853303471444,0.143646408839779,0.856353591160221,0,20,0.520714282989502,0.8176795840263367,0.2666666805744171,0.8176795840263367,1.0843462944030762,0.31578946113586426,0.23076923191547394,0.6401985287666321,0.7757952213287354,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.0,55.0,10.0,0.07692307692307693,0.9230769230769231
-1,uniprot,876,198,0.2522831050228311,0.7477168949771689,0.29292929292929293,0.7070707070707072,0,14,1.2874281406402588,0.5757575631141663,0.2222222238779068,0.5757575631141663,0.7979797720909119,0.23999999463558197,0.2068965584039688,0.5036945939064026,0.5239871740341187,0.9230769276618958,0.0,0.9230769276618958,0.9230769276618958,0.0,0.0,0.08333331346511841,56.0,9.0,0.07692307692307693,0.9230769230769231
-2,uniprot,1015,59,0.24433497536945814,0.755665024630542,0.5254237288135594,0.4745762711864407,0,11,2.313382387161255,0.5254237055778503,0.3333333432674408,0.5254237055778503,0.8587570190429688,0.6363636255264282,0.22580644488334656,0.6849077939987183,0.8297387361526489,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.08333331346511841,56.0,9.0,0.07692307692307693,0.9230769230769231
-3,uniprot,733,341,0.24829467939972716,0.7517053206002728,0.2844574780058651,0.7155425219941349,0,50,1.2226158380508423,0.6891495585441589,0.22058823704719543,0.6891495585441589,0.9097378253936768,0.38461539149284363,0.15463916957378387,0.5923609733581543,0.6087363958358765,0.9230769276618958,0.0,0.9230769276618958,0.9230769276618958,0.0,0.0,0.08333331346511841,51.0,14.0,0.07692307692307693,0.9230769230769231
-4,uniprot,779,295,0.27214377406931967,0.7278562259306802,0.2271186440677966,0.7728813559322034,0,62,0.7730569243431091,0.6813559532165527,0.4337349534034729,0.6813559532165527,1.1150908470153809,0.3636363744735718,0.5373134613037109,0.7085297107696533,0.7675966620445251,0.7692307829856873,0.0,0.7692307829856873,0.7692307829856873,0.0,0.0,0.25,42.0,23.0,0.07692307692307693,0.9230769230769231
-0,tanimoto,1005,69,0.26666666666666666,0.7333333333333333,0.15942028985507245,0.8405797101449275,19,0,0.6027061939239502,0.782608687877655,0.3478260934352875,0.782608687877655,1.1304347515106201,0.3333333432674408,0.3636363744735718,0.8087774515151978,0.7111766338348389,0.9230769276618958,0.0,0.9230769276618958,0.9230769276618958,0.0,0.0,0.08333331346511841,25.0,4.0,0.07692307692307693,0.9230769230769231
-1,tanimoto,907,167,0.25468577728776187,0.7453142227122381,0.2874251497005988,0.7125748502994012,36,0,0.9109691977500916,0.7604790329933167,0.5,0.7604790329933167,1.2604789733886719,0.625,0.4166666567325592,0.7228641510009766,0.7257124781608582,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.08333331346511841,22.0,7.0,0.07692307692307693,0.9230769230769231
-2,tanimoto,895,179,0.25921787709497207,0.7407821229050281,0.26256983240223464,0.7374301675977654,40,0,0.7800794243812561,0.7597765326499939,0.44155845046043396,0.7597765326499939,1.2013349533081055,0.5666666626930237,0.3617021143436432,0.7964216470718384,0.8443781733512878,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.0,22.0,7.0,0.07692307692307693,0.9230769230769231
-3,tanimoto,746,328,0.24664879356568364,0.7533512064343164,0.2896341463414634,0.7103658536585366,43,0,0.7938919067382812,0.7865853905677795,0.5138888955116272,0.7865853905677795,1.3004742860794067,0.7551020383834839,0.38947367668151855,0.7958889007568359,0.5916397571563721,0.9230769276618958,0.0,0.9230769276618958,0.9230769276618958,0.0,0.0,0.1666666865348816,23.0,6.0,0.07692307692307693,0.9230769230769231
-4,tanimoto,743,331,0.27052489905787347,0.7294751009421264,0.23564954682779457,0.7643504531722054,45,0,0.662976861000061,0.7824773192405701,0.47058823704719543,0.7824773192405701,1.253065586090088,0.5517241358757019,0.41025641560554504,0.7972534894943237,0.612966001033783,0.9230769276618958,0.0,0.9230769276618958,0.9230769276618958,0.0,0.0,0.25,24.0,5.0,0.07692307692307693,0.9230769230769231

reports/cv_report_hparam_search_5-splits_Active_Dmax_0.6_pDC50_6.0_test_split_0.1.csv

@@ -1,141 +0,0 @@
-fold,split_type,train_len,val_len,train_perc,val_perc,train_active_perc,train_inactive_perc,val_active_perc,val_inactive_perc,test_active_perc,test_inactive_perc,num_leaking_uniprot,num_leaking_smiles,train_leaking_uniprot_perc,train_leaking_smiles_perc,val_loss,val_acc,val_f1_score,val_hp_metric,val_opt_score,val_precision,val_recall,val_roc_auc,test_loss,test_acc,test_f1_score,test_hp_metric,test_opt_score,test_precision,test_recall,test_roc_auc,hparam_hidden_dim,hparam_batch_size,hparam_learning_rate,hparam_join_embeddings,hparam_smote_k_neighbors,hparam_use_smote,hparam_apply_scaling,hparam_dropout,disabled_embeddings,train_unique_groups,val_unique_groups
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-0,random,616,155,0.7989623865110247,0.20103761348897536,0.5146103896103896,0.48538961038961037,0.5161290322580645,0.4838709677419355,0.46511627906976744,0.5348837209302325,41,60,0.8863636363636364,0.1461038961038961,0.5218986868858337,0.7870967984199524,0.800000011920929,0.7870967984199524,1.5870968103408813,0.7764706015586853,0.824999988079071,0.828000009059906,0.6730971932411194,0.6744186282157898,0.7021276354789734,0.6744186282157898,1.3765462636947632,0.6111111044883728,0.824999988079071,0.7720109224319458,512,32,5.601155031839744e-05,concat,6,True,True,0.1194606735771354,disabled e3 cell,,
-0,random,616,155,0.7989623865110247,0.20103761348897536,0.5146103896103896,0.48538961038961037,0.5161290322580645,0.4838709677419355,0.46511627906976744,0.5348837209302325,41,60,0.8863636363636364,0.1461038961038961,0.5991897583007812,0.7096773982048035,0.7457627058029175,0.7096773982048035,1.4554400444030762,0.6804123520851135,0.824999988079071,0.7649999856948853,0.6710871458053589,0.6860465407371521,0.7096773982048035,0.6860465407371521,1.3957239389419556,0.6226415038108826,0.824999988079071,0.7464674115180969,512,32,5.601155031839744e-05,concat,6,True,True,0.1194606735771354,disabled poi e3 cell,,
-1,random,617,154,0.8002594033722439,0.19974059662775617,0.513776337115073,0.4862236628849271,0.5194805194805194,0.4805194805194805,0.46511627906976744,0.5348837209302325,43,71,0.9205834683954619,0.1880064829821718,0.3727586269378662,0.8246753215789795,0.8343558311462402,0.8246753215789795,1.6590311527252197,0.8192771077156067,0.8500000238418579,0.9097973108291626,0.8269526362419128,0.6976743936538696,0.7111111283302307,0.6976743936538696,1.4087855815887451,0.6399999856948853,0.800000011920929,0.7641304135322571,768,8,3.6864013434452964e-05,sum,9,False,True,0.2776739335318258,,,
-1,random,617,154,0.8002594033722439,0.19974059662775617,0.513776337115073,0.4862236628849271,0.5194805194805194,0.4805194805194805,0.46511627906976744,0.5348837209302325,43,71,0.9205834683954619,0.1880064829821718,0.4481317698955536,0.7597402334213257,0.758169949054718,0.7597402334213257,1.5179102420806885,0.7945205569267273,0.7250000238418579,0.8844594955444336,0.6340308785438538,0.6627907156944275,0.6741573214530945,0.6627907156944275,1.336948037147522,0.6122449040412903,0.75,0.7836956977844238,768,8,3.6864013434452964e-05,sum,9,False,True,0.2776739335318258,disabled poi,,
-1,random,617,154,0.8002594033722439,0.19974059662775617,0.513776337115073,0.4862236628849271,0.5194805194805194,0.4805194805194805,0.46511627906976744,0.5348837209302325,43,71,0.9205834683954619,0.1880064829821718,0.4892237186431885,0.7532467246055603,0.7564102411270142,0.7532467246055603,1.5096569061279297,0.7763158082962036,0.737500011920929,0.847466230392456,0.6310954093933105,0.6744186282157898,0.6818181872367859,0.6744186282157898,1.3562368154525757,0.625,0.75,0.773097813129425,768,8,3.6864013434452964e-05,sum,9,False,True,0.2776739335318258,disabled cell,,
-1,random,617,154,0.8002594033722439,0.19974059662775617,0.513776337115073,0.4862236628849271,0.5194805194805194,0.4805194805194805,0.46511627906976744,0.5348837209302325,43,71,0.9205834683954619,0.1880064829821718,0.41230952739715576,0.798701286315918,0.8074533939361572,0.798701286315918,1.6061546802520752,0.8024691343307495,0.8125,0.8868243098258972,0.6169177293777466,0.6860465407371521,0.7157894968986511,0.6860465407371521,1.4018360376358032,0.6181818246841431,0.8500000238418579,0.7497282028198242,768,8,3.6864013434452964e-05,sum,9,False,True,0.2776739335318258,disabled smiles,,
-1,random,617,154,0.8002594033722439,0.19974059662775617,0.513776337115073,0.4862236628849271,0.5194805194805194,0.4805194805194805,0.46511627906976744,0.5348837209302325,43,71,0.9205834683954619,0.1880064829821718,0.4749085009098053,0.7922077775001526,0.8024691343307495,0.7922077775001526,1.5946769714355469,0.792682945728302,0.8125,0.8559122085571289,0.6275623440742493,0.6162790656089783,0.6292135119438171,0.6162790656089783,1.2454925775527954,0.5714285969734192,0.699999988079071,0.7845109105110168,768,8,3.6864013434452964e-05,sum,9,False,True,0.2776739335318258,disabled e3 cell,,
-1,random,617,154,0.8002594033722439,0.19974059662775617,0.513776337115073,0.4862236628849271,0.5194805194805194,0.4805194805194805,0.46511627906976744,0.5348837209302325,43,71,0.9205834683954619,0.1880064829821718,0.5738162994384766,0.6883116960525513,0.6842105388641357,0.6883116960525513,1.372522234916687,0.7222222089767456,0.6499999761581421,0.790878415107727,0.6658521890640259,0.6395348906517029,0.6352941393852234,0.6395348906517029,1.2748290300369263,0.6000000238418579,0.675000011920929,0.720380425453186,768,8,3.6864013434452964e-05,sum,9,False,True,0.2776739335318258,disabled poi e3 cell,,
-2,random,617,154,0.8002594033722439,0.19974059662775617,0.5153970826580226,0.4846029173419773,0.512987012987013,0.487012987012987,0.46511627906976744,0.5348837209302325,43,54,0.9141004862236629,0.14424635332252836,0.47632575035095215,0.850649356842041,0.8496732115745544,0.850649356842041,1.7003226280212402,0.8783783912658691,0.8227847814559937,0.900253176689148,0.700722336769104,0.7093023061752319,0.7368420958518982,0.7093023061752319,1.4461443424224854,0.6363636255264282,0.875,0.772826075553894,512,16,2.4013417167584638e-05,concat,3,False,True,0.1285651118242937,,,
-2,random,617,154,0.8002594033722439,0.19974059662775617,0.5153970826580226,0.4846029173419773,0.512987012987013,0.487012987012987,0.46511627906976744,0.5348837209302325,43,54,0.9141004862236629,0.14424635332252836,0.5569040179252625,0.7532467246055603,0.762499988079071,0.7532467246055603,1.5157467126846313,0.7530864477157593,0.7721518874168396,0.8180590271949768,0.7457206845283508,0.6744186282157898,0.7083333134651184,0.6744186282157898,1.3827519416809082,0.6071428656578064,0.8500000238418579,0.7385870218276978,512,16,2.4013417167584638e-05,concat,3,False,True,0.1285651118242937,disabled poi,,
-2,random,617,154,0.8002594033722439,0.19974059662775617,0.5153970826580226,0.4846029173419773,0.512987012987013,0.487012987012987,0.46511627906976744,0.5348837209302325,43,54,0.9141004862236629,0.14424635332252836,0.5525828003883362,0.7727272510528564,0.761904776096344,0.7727272510528564,1.5346319675445557,0.8235294222831726,0.7088607549667358,0.8659071922302246,0.7164972424507141,0.6860465407371521,0.6966292262077332,0.6860465407371521,1.3826757669448853,0.6326530575752258,0.7749999761581421,0.752445638179779,512,16,2.4013417167584638e-05,concat,3,False,True,0.1285651118242937,disabled cell,,
-2,random,617,154,0.8002594033722439,0.19974059662775617,0.5153970826580226,0.4846029173419773,0.512987012987013,0.487012987012987,0.46511627906976744,0.5348837209302325,43,54,0.9141004862236629,0.14424635332252836,0.5143927335739136,0.8116883039474487,0.8220859169960022,0.8116883039474487,1.6337742805480957,0.7976190447807312,0.8481012582778931,0.839409351348877,0.6856086254119873,0.6627907156944275,0.7184466123580933,0.6627907156944275,1.381237268447876,0.5873016119003296,0.925000011920929,0.7372282147407532,512,16,2.4013417167584638e-05,concat,3,False,True,0.1285651118242937,disabled smiles,,
-2,random,617,154,0.8002594033722439,0.19974059662775617,0.5153970826580226,0.4846029173419773,0.512987012987013,0.487012987012987,0.46511627906976744,0.5348837209302325,43,54,0.9141004862236629,0.14424635332252836,0.5504748225212097,0.7532467246055603,0.762499988079071,0.7532467246055603,1.5157467126846313,0.7530864477157593,0.7721518874168396,0.8324894309043884,0.7209012508392334,0.6744186282157898,0.7021276354789734,0.6744186282157898,1.3765462636947632,0.6111111044883728,0.824999988079071,0.74048912525177,512,16,2.4013417167584638e-05,concat,3,False,True,0.1285651118242937,disabled e3 cell,,
-2,random,617,154,0.8002594033722439,0.19974059662775617,0.5153970826580226,0.4846029173419773,0.512987012987013,0.487012987012987,0.46511627906976744,0.5348837209302325,43,54,0.9141004862236629,0.14424635332252836,0.5665246248245239,0.7662337422370911,0.7631579041481018,0.7662337422370911,1.5293916463851929,0.7945205569267273,0.7341772317886353,0.8203375339508057,0.8080471754074097,0.6279069781303406,0.6521739363670349,0.6279069781303406,1.2800809144973755,0.5769230723381042,0.75,0.6937500238418579,512,16,2.4013417167584638e-05,concat,3,False,True,0.1285651118242937,disabled poi e3 cell,,
-3,random,617,154,0.8002594033722439,0.19974059662775617,0.5153970826580226,0.4846029173419773,0.512987012987013,0.487012987012987,0.46511627906976744,0.5348837209302325,38,69,0.8768233387358185,0.1620745542949757,0.3858301341533661,0.8571428656578064,0.8705882430076599,0.8571428656578064,1.7277311086654663,0.8131868243217468,0.9367088675498962,0.9027848243713379,0.7138927578926086,0.7209302186965942,0.7446808218955994,0.7209302186965942,1.4656109809875488,0.6481481194496155,0.875,0.7646738886833191,256,32,1.9371068581747328e-05,beginning,5,True,True,0.32661927895710785,,,
-3,random,617,154,0.8002594033722439,0.19974059662775617,0.5153970826580226,0.4846029173419773,0.512987012987013,0.487012987012987,0.46511627906976744,0.5348837209302325,38,69,0.8768233387358185,0.1620745542949757,0.49829259514808655,0.7727272510528564,0.7904191613197327,0.7727272510528564,1.5631463527679443,0.75,0.8354430198669434,0.8447257280349731,0.7518917322158813,0.6744186282157898,0.7021276354789734,0.6744186282157898,1.3765462636947632,0.6111111044883728,0.824999988079071,0.7353261113166809,256,32,1.9371068581747328e-05,beginning,5,True,True,0.32661927895710785,disabled poi,,
-3,random,617,154,0.8002594033722439,0.19974059662775617,0.5153970826580226,0.4846029173419773,0.512987012987013,0.487012987012987,0.46511627906976744,0.5348837209302325,38,69,0.8768233387358185,0.1620745542949757,0.48658961057662964,0.7597402334213257,0.7932960987091064,0.7597402334213257,1.5530363321304321,0.7099999785423279,0.8987341523170471,0.8383122682571411,0.7074617147445679,0.6395348906517029,0.6804123520851135,0.6395348906517029,1.3199472427368164,0.5789473652839661,0.824999988079071,0.7252717614173889,256,32,1.9371068581747328e-05,beginning,5,True,True,0.32661927895710785,disabled cell,,
-3,random,617,154,0.8002594033722439,0.19974059662775617,0.5153970826580226,0.4846029173419773,0.512987012987013,0.487012987012987,0.46511627906976744,0.5348837209302325,38,69,0.8768233387358185,0.1620745542949757,0.4103379547595978,0.8116883039474487,0.8379888534545898,0.8116883039474487,1.6496771574020386,0.75,0.949367105960846,0.8879324793815613,0.6909624338150024,0.6279069781303406,0.698113203048706,0.6279069781303406,1.3260202407836914,0.560606062412262,0.925000011920929,0.7214673757553101,256,32,1.9371068581747328e-05,beginning,5,True,True,0.32661927895710785,disabled smiles,,
-3,random,617,154,0.8002594033722439,0.19974059662775617,0.5153970826580226,0.4846029173419773,0.512987012987013,0.487012987012987,0.46511627906976744,0.5348837209302325,38,69,0.8768233387358185,0.1620745542949757,0.5219790935516357,0.7532467246055603,0.7710843086242676,0.7532467246055603,1.5243310928344727,0.7356321811676025,0.8101266026496887,0.8135020732879639,0.6931883692741394,0.6744186282157898,0.695652186870575,0.6744186282157898,1.3700708150863647,0.6153846383094788,0.800000011920929,0.707880437374115,256,32,1.9371068581747328e-05,beginning,5,True,True,0.32661927895710785,disabled e3 cell,,
-3,random,617,154,0.8002594033722439,0.19974059662775617,0.5153970826580226,0.4846029173419773,0.512987012987013,0.487012987012987,0.46511627906976744,0.5348837209302325,38,69,0.8768233387358185,0.1620745542949757,0.6119369864463806,0.7142857313156128,0.7634408473968506,0.7142857313156128,1.4777265787124634,0.663551390171051,0.8987341523170471,0.7726582288742065,0.7931311130523682,0.6162790656089783,0.6732673048973083,0.6162790656089783,1.2895463705062866,0.5573770403862,0.8500000238418579,0.664945662021637,256,32,1.9371068581747328e-05,beginning,5,True,True,0.32661927895710785,disabled poi e3 cell,,
-4,random,617,154,0.8002594033722439,0.19974059662775617,0.5153970826580226,0.4846029173419773,0.512987012987013,0.487012987012987,0.46511627906976744,0.5348837209302325,40,70,0.9108589951377634,0.1766612641815235,0.43822330236434937,0.8571428656578064,0.8674699068069458,0.8571428656578064,1.7246127128601074,0.8275862336158752,0.9113923907279968,0.90666663646698,0.7828519344329834,0.7093023061752319,0.7422680258750916,0.7093023061752319,1.4515702724456787,0.6315789222717285,0.8999999761581421,0.801086962223053,768,16,2.896766103854353e-05,sum,3,False,True,0.15272045937346984,,,
-4,random,617,154,0.8002594033722439,0.19974059662775617,0.5153970826580226,0.4846029173419773,0.512987012987013,0.487012987012987,0.46511627906976744,0.5348837209302325,40,70,0.9108589951377634,0.1766612641815235,0.4924813210964203,0.7857142686843872,0.8092485666275024,0.7857142686843872,1.5949628353118896,0.7446808218955994,0.8860759735107422,0.8637974262237549,0.7550337314605713,0.6860465407371521,0.7216494679450989,0.6860465407371521,1.407696008682251,0.6140350699424744,0.875,0.8038043975830078,768,16,2.896766103854353e-05,sum,3,False,True,0.15272045937346984,disabled poi,,
-4,random,617,154,0.8002594033722439,0.19974059662775617,0.5153970826580226,0.4846029173419773,0.512987012987013,0.487012987012987,0.46511627906976744,0.5348837209302325,40,70,0.9108589951377634,0.1766612641815235,0.4874075949192047,0.798701286315918,0.7973856329917908,0.798701286315918,1.5960869789123535,0.8243243098258972,0.7721518874168396,0.854767918586731,0.6706291437149048,0.6744186282157898,0.6888889074325562,0.6744186282157898,1.3633074760437012,0.6200000047683716,0.7749999761581421,0.78125,768,16,2.896766103854353e-05,sum,3,False,True,0.15272045937346984,disabled cell,,
-4,random,617,154,0.8002594033722439,0.19974059662775617,0.5153970826580226,0.4846029173419773,0.512987012987013,0.487012987012987,0.46511627906976744,0.5348837209302325,40,70,0.9108589951377634,0.1766612641815235,0.45279332995414734,0.7857142686843872,0.8047337532043457,0.7857142686843872,1.590448021888733,0.7555555701255798,0.8607594966888428,0.8741772174835205,0.6685457229614258,0.6744186282157898,0.7254902124404907,0.6744186282157898,1.3999087810516357,0.5967742204666138,0.925000011920929,0.748641312122345,768,16,2.896766103854353e-05,sum,3,False,True,0.15272045937346984,disabled smiles,,
-4,random,617,154,0.8002594033722439,0.19974059662775617,0.5153970826580226,0.4846029173419773,0.512987012987013,0.487012987012987,0.46511627906976744,0.5348837209302325,40,70,0.9108589951377634,0.1766612641815235,0.5145543813705444,0.7272727489471436,0.7200000286102295,0.7272727489471436,1.447272777557373,0.7605633735656738,0.6835442781448364,0.8405907154083252,0.6028329133987427,0.7093023061752319,0.7126436829566956,0.7093023061752319,1.4219460487365723,0.6595744490623474,0.7749999761581421,0.7687499523162842,768,16,2.896766103854353e-05,sum,3,False,True,0.15272045937346984,disabled e3 cell,,
-4,random,617,154,0.8002594033722439,0.19974059662775617,0.5153970826580226,0.4846029173419773,0.512987012987013,0.487012987012987,0.46511627906976744,0.5348837209302325,40,70,0.9108589951377634,0.1766612641815235,0.5689637660980225,0.7727272510528564,0.7953216433525085,0.7727272510528564,1.5680489540100098,0.739130437374115,0.8607594966888428,0.7962024807929993,0.7970753312110901,0.6627907156944275,0.6813187003135681,0.6627907156944275,1.3441094160079956,0.6078431606292725,0.7749999761581421,0.738315224647522,768,16,2.896766103854353e-05,sum,3,False,True,0.15272045937346984,disabled poi e3 cell,,
-0,e3_ligase,644,162,0.7990074441687345,0.20099255583126552,0.531055900621118,0.468944099378882,0.5308641975308642,0.4691358024691358,0.17647058823529413,0.8235294117647058,38,71,0.8773291925465838,0.16925465838509315,0.42791569232940674,0.790123462677002,0.8131868243217468,0.790123462677002,1.6033103466033936,0.7708333134651184,0.8604651093482971,0.8873929381370544,10.380221366882324,0.3529411852359772,0.23255814611911774,0.3529411852359772,0.5854993462562561,0.14705882966518402,0.5555555820465088,0.43915343284606934,768,32,2.012136051709938e-05,concat,5,False,True,0.22622501478687262,,2.0,2.0
-0,e3_ligase,644,162,0.7990074441687345,0.20099255583126552,0.531055900621118,0.468944099378882,0.5308641975308642,0.4691358024691358,0.17647058823529413,0.8235294117647058,38,71,0.8773291925465838,0.16925465838509315,0.5981403589248657,0.7407407164573669,0.7236841917037964,0.7407407164573669,1.4644248485565186,0.8333333134651184,0.6395348906517029,0.8509027361869812,1.2657108306884766,0.3921568691730499,0.24390244483947754,0.3921568691730499,0.6360592842102051,0.15625,0.5555555820465088,0.48148149251937866,768,32,2.012136051709938e-05,concat,5,False,True,0.22622501478687262,disabled poi,2.0,2.0
-0,e3_ligase,644,162,0.7990074441687345,0.20099255583126552,0.531055900621118,0.468944099378882,0.5308641975308642,0.4691358024691358,0.17647058823529413,0.8235294117647058,38,71,0.8773291925465838,0.16925465838509315,0.5243603587150574,0.7654321193695068,0.7956989407539368,0.7654321193695068,1.5611310005187988,0.7400000095367432,0.8604651093482971,0.8431762456893921,1.591705322265625,0.27450981736183167,0.3272727131843567,0.27450981736183167,0.6017825603485107,0.19565217196941376,1.0,0.6772487163543701,768,32,2.012136051709938e-05,concat,5,False,True,0.22622501478687262,disabled cell,2.0,2.0
-0,e3_ligase,644,162,0.7990074441687345,0.20099255583126552,0.531055900621118,0.468944099378882,0.5308641975308642,0.4691358024691358,0.17647058823529413,0.8235294117647058,38,71,0.8773291925465838,0.16925465838509315,0.4727032482624054,0.7469135522842407,0.7783783674240112,0.7469135522842407,1.525291919708252,0.7272727489471436,0.8372092843055725,0.8338432908058167,0.7989736199378967,0.5882353186607361,0.4000000059604645,0.5882353186607361,0.988235354423523,0.26923078298568726,0.7777777910232544,0.7248677015304565,768,32,2.012136051709938e-05,concat,5,False,True,0.22622501478687262,disabled smiles,2.0,2.0
-0,e3_ligase,644,162,0.7990074441687345,0.20099255583126552,0.531055900621118,0.468944099378882,0.5308641975308642,0.4691358024691358,0.17647058823529413,0.8235294117647058,38,71,0.8773291925465838,0.16925465838509315,0.5973920226097107,0.7037037014961243,0.6470588445663452,0.7037037014961243,1.3507626056671143,0.8799999952316284,0.5116279125213623,0.8442472219467163,0.6249992251396179,0.6666666865348816,0.4516128897666931,0.6666666865348816,1.1182795763015747,0.3181818127632141,0.7777777910232544,0.7380952835083008,768,32,2.012136051709938e-05,concat,5,False,True,0.22622501478687262,disabled e3 cell,2.0,2.0
-0,e3_ligase,644,162,0.7990074441687345,0.20099255583126552,0.531055900621118,0.468944099378882,0.5308641975308642,0.4691358024691358,0.17647058823529413,0.8235294117647058,38,71,0.8773291925465838,0.16925465838509315,0.6732709407806396,0.6358024477958679,0.5931034684181213,0.6358024477958679,1.2289059162139893,0.7288135886192322,0.5,0.7535954713821411,0.8096119165420532,0.529411792755127,0.25,0.529411792755127,0.779411792755127,0.17391304671764374,0.4444444477558136,0.5661376118659973,768,32,2.012136051709938e-05,concat,5,False,True,0.22622501478687262,disabled poi e3 cell,2.0,2.0
-1,e3_ligase,645,161,0.8002481389578163,0.19975186104218362,0.5302325581395348,0.4697674418604651,0.5341614906832298,0.4658385093167702,0.17647058823529413,0.8235294117647058,40,78,0.9333333333333333,0.2,0.38459962606430054,0.8136646151542664,0.8255813717842102,0.8136646151542664,1.6392459869384766,0.8255813717842102,0.8255813717842102,0.9159690141677856,3.481433153152466,0.3921568691730499,0.3404255211353302,0.3921568691730499,0.7325823903083801,0.21052631735801697,0.8888888955116272,0.6785714626312256,512,32,1.3471178493931514e-05,beginning,6,True,True,0.21912562190077992,,2.0,2.0
-1,e3_ligase,645,161,0.8002481389578163,0.19975186104218362,0.5302325581395348,0.4697674418604651,0.5341614906832298,0.4658385093167702,0.17647058823529413,0.8235294117647058,40,78,0.9333333333333333,0.2,0.500751793384552,0.7763975262641907,0.7882353067398071,0.7763975262641907,1.5646328926086426,0.7976190447807312,0.7790697813034058,0.8477518558502197,1.0960346460342407,0.47058823704719543,0.2702702581882477,0.47058823704719543,0.7408584952354431,0.1785714328289032,0.5555555820465088,0.5687830448150635,512,32,1.3471178493931514e-05,beginning,6,True,True,0.21912562190077992,disabled poi,2.0,2.0
-1,e3_ligase,645,161,0.8002481389578163,0.19975186104218362,0.5302325581395348,0.4697674418604651,0.5341614906832298,0.4658385093167702,0.17647058823529413,0.8235294117647058,40,78,0.9333333333333333,0.2,0.4899919927120209,0.7888198494911194,0.8247422575950623,0.7888198494911194,1.6135621070861816,0.7407407164573669,0.930232584476471,0.8612403273582458,1.7873941659927368,0.3137255012989044,0.3396226465702057,0.3137255012989044,0.6533481478691101,0.20454545319080353,1.0,0.6957671642303467,512,32,1.3471178493931514e-05,beginning,6,True,True,0.21912562190077992,disabled cell,2.0,2.0
-1,e3_ligase,645,161,0.8002481389578163,0.19975186104218362,0.5302325581395348,0.4697674418604651,0.5341614906832298,0.4658385093167702,0.17647058823529413,0.8235294117647058,40,78,0.9333333333333333,0.2,0.4496576189994812,0.7950310707092285,0.8114285469055176,0.7950310707092285,1.606459617614746,0.7977527976036072,0.8255813717842102,0.8570542931556702,0.8912749886512756,0.529411792755127,0.4000000059604645,0.529411792755127,0.929411768913269,0.25806450843811035,0.8888888955116272,0.7116401791572571,512,32,1.3471178493931514e-05,beginning,6,True,True,0.21912562190077992,disabled smiles,2.0,2.0
-1,e3_ligase,645,161,0.8002481389578163,0.19975186104218362,0.5302325581395348,0.4697674418604651,0.5341614906832298,0.4658385093167702,0.17647058823529413,0.8235294117647058,40,78,0.9333333333333333,0.2,0.46119850873947144,0.7515528202056885,0.759036123752594,0.7515528202056885,1.5105888843536377,0.7875000238418579,0.7325581312179565,0.8584495782852173,1.0679614543914795,0.45098039507865906,0.3333333432674408,0.45098039507865906,0.7843137383460999,0.21212121844291687,0.7777777910232544,0.7380952835083008,512,32,1.3471178493931514e-05,beginning,6,True,True,0.21912562190077992,disabled e3 cell,2.0,2.0
-1,e3_ligase,645,161,0.8002481389578163,0.19975186104218362,0.5302325581395348,0.4697674418604651,0.5341614906832298,0.4658385093167702,0.17647058823529413,0.8235294117647058,40,78,0.9333333333333333,0.2,0.5762214660644531,0.7515528202056885,0.800000011920929,0.7515528202056885,1.5515527725219727,0.7017543911933899,0.930232584476471,0.7968991994857788,1.3546390533447266,0.29411765933036804,0.3076923191547394,0.29411765933036804,0.6018099784851074,0.1860465109348297,0.8888888955116272,0.6402116417884827,512,32,1.3471178493931514e-05,beginning,6,True,True,0.21912562190077992,disabled poi e3 cell,2.0,2.0
-2,e3_ligase,645,161,0.8002481389578163,0.19975186104218362,0.5302325581395348,0.4697674418604651,0.5341614906832298,0.4658385093167702,0.17647058823529413,0.8235294117647058,37,69,0.9007751937984496,0.19069767441860466,0.4359748363494873,0.8198757767677307,0.8342857360839844,0.8198757767677307,1.6541614532470703,0.8202247023582458,0.8488371968269348,0.8875969052314758,5.12006139755249,0.8235294222831726,0.0,0.8235294222831726,0.8235294222831726,0.0,0.0,0.6587302088737488,768,16,1.3939698836118966e-05,sum,7,True,True,0.17616412205244186,,2.0,2.0
-2,e3_ligase,645,161,0.8002481389578163,0.19975186104218362,0.5302325581395348,0.4697674418604651,0.5341614906832298,0.4658385093167702,0.17647058823529413,0.8235294117647058,37,69,0.9007751937984496,0.19069767441860466,0.47999462485313416,0.7888198494911194,0.8023256063461304,0.7888198494911194,1.5911455154418945,0.8023256063461304,0.8023256063461304,0.8545736074447632,1.2090553045272827,0.3921568691730499,0.27906978130340576,0.3921568691730499,0.6712266206741333,0.1764705926179886,0.6666666865348816,0.5317460298538208,768,16,1.3939698836118966e-05,sum,7,True,True,0.17616412205244186,disabled poi,2.0,2.0
-2,e3_ligase,645,161,0.8002481389578163,0.19975186104218362,0.5302325581395348,0.4697674418604651,0.5341614906832298,0.4658385093167702,0.17647058823529413,0.8235294117647058,37,69,0.9007751937984496,0.19069767441860466,0.5184555649757385,0.7329192757606506,0.7295597195625305,0.7329192757606506,1.4624789953231812,0.7945205569267273,0.6744186282157898,0.8598449230194092,1.0100619792938232,0.3921568691730499,0.3404255211353302,0.3921568691730499,0.7325823903083801,0.21052631735801697,0.8888888955116272,0.7275132536888123,768,16,1.3939698836118966e-05,sum,7,True,True,0.17616412205244186,disabled cell,2.0,2.0
-2,e3_ligase,645,161,0.8002481389578163,0.19975186104218362,0.5302325581395348,0.4697674418604651,0.5341614906832298,0.4658385093167702,0.17647058823529413,0.8235294117647058,37,69,0.9007751937984496,0.19069767441860466,0.44077059626579285,0.8322981595993042,0.845714271068573,0.8322981595993042,1.6780123710632324,0.8314606547355652,0.8604651093482971,0.8748061656951904,0.7508041262626648,0.6274510025978088,0.4864864945411682,0.6274510025978088,1.113937497138977,0.3214285671710968,1.0,0.6693121790885925,768,16,1.3939698836118966e-05,sum,7,True,True,0.17616412205244186,disabled smiles,2.0,2.0
-2,e3_ligase,645,161,0.8002481389578163,0.19975186104218362,0.5302325581395348,0.4697674418604651,0.5341614906832298,0.4658385093167702,0.17647058823529413,0.8235294117647058,37,69,0.9007751937984496,0.19069767441860466,0.49924010038375854,0.7639751434326172,0.7865168452262878,0.7639751434326172,1.5504920482635498,0.760869562625885,0.8139534592628479,0.8437209129333496,1.3982515335083008,0.23529411852359772,0.2641509473323822,0.23529411852359772,0.4994450807571411,0.15909090638160706,0.7777777910232544,0.6904762387275696,768,16,1.3939698836118966e-05,sum,7,True,True,0.17616412205244186,disabled e3 cell,2.0,2.0
-2,e3_ligase,645,161,0.8002481389578163,0.19975186104218362,0.5302325581395348,0.4697674418604651,0.5341614906832298,0.4658385093167702,0.17647058823529413,0.8235294117647058,37,69,0.9007751937984496,0.19069767441860466,0.5830892324447632,0.7018633484840393,0.7272727489471436,0.7018633484840393,1.429136037826538,0.7111111283302307,0.7441860437393188,0.7675968408584595,1.00724458694458,0.4901960790157318,0.380952388048172,0.4901960790157318,0.8711484670639038,0.24242424964904785,0.8888888955116272,0.5952380895614624,768,16,1.3939698836118966e-05,sum,7,True,True,0.17616412205244186,disabled poi e3 cell,2.0,2.0
-3,e3_ligase,645,161,0.8002481389578163,0.19975186104218362,0.5317829457364341,0.4682170542635659,0.5279503105590062,0.4720496894409938,0.17647058823529413,0.8235294117647058,42,69,0.9209302325581395,0.16589147286821707,0.5560566782951355,0.739130437374115,0.774193525314331,0.739130437374115,1.5133240222930908,0.7128713130950928,0.8470588326454163,0.8503096103668213,15.590017318725586,0.1764705926179886,0.30000001192092896,0.1764705926179886,0.47647058963775635,0.1764705926179886,1.0,0.39550265669822693,256,8,1.2710799573159034e-05,beginning,14,False,True,0.2120743959448067,,2.0,2.0
-3,e3_ligase,645,161,0.8002481389578163,0.19975186104218362,0.5317829457364341,0.4682170542635659,0.5279503105590062,0.4720496894409938,0.17647058823529413,0.8235294117647058,42,69,0.9209302325581395,0.16589147286821707,0.5137553215026855,0.7267080545425415,0.7528089880943298,0.7267080545425415,1.4795169830322266,0.7204301357269287,0.7882353067398071,0.8258513808250427,1.0253857374191284,0.529411792755127,0.3684210479259491,0.529411792755127,0.8978328704833984,0.24137930572032928,0.7777777910232544,0.5952381491661072,256,8,1.2710799573159034e-05,beginning,14,False,True,0.2120743959448067,disabled poi,2.0,2.0
-3,e3_ligase,645,161,0.8002481389578163,0.19975186104218362,0.5317829457364341,0.4682170542635659,0.5279503105590062,0.4720496894409938,0.17647058823529413,0.8235294117647058,42,69,0.9209302325581395,0.16589147286821707,0.5979371666908264,0.6894409656524658,0.7126436829566956,0.6894409656524658,1.4020845890045166,0.6966292262077332,0.729411780834198,0.7852166891098022,0.8877013921737671,0.529411792755127,0.4285714328289032,0.529411792755127,0.9579832553863525,0.27272728085517883,1.0,0.841269850730896,256,8,1.2710799573159034e-05,beginning,14,False,True,0.2120743959448067,disabled cell,2.0,2.0
-3,e3_ligase,645,161,0.8002481389578163,0.19975186104218362,0.5317829457364341,0.4682170542635659,0.5279503105590062,0.4720496894409938,0.17647058823529413,0.8235294117647058,42,69,0.9209302325581395,0.16589147286821707,0.5868892073631287,0.6894409656524658,0.7058823704719543,0.6894409656524658,1.3953232765197754,0.7058823704719543,0.7058823704719543,0.7654024958610535,0.7372617721557617,0.529411792755127,0.4000000059604645,0.529411792755127,0.929411768913269,0.25806450843811035,0.8888888955116272,0.7645502090454102,256,8,1.2710799573159034e-05,beginning,14,False,True,0.2120743959448067,disabled smiles,2.0,2.0
-3,e3_ligase,645,161,0.8002481389578163,0.19975186104218362,0.5317829457364341,0.4682170542635659,0.5279503105590062,0.4720496894409938,0.17647058823529413,0.8235294117647058,42,69,0.9209302325581395,0.16589147286821707,0.6149124503135681,0.7080745100975037,0.7314285635948181,0.7080745100975037,1.4395030736923218,0.7111111283302307,0.7529411911964417,0.7751548290252686,0.8781015276908875,0.529411792755127,0.4285714328289032,0.529411792755127,0.9579832553863525,0.27272728085517883,1.0,0.8359788656234741,256,8,1.2710799573159034e-05,beginning,14,False,True,0.2120743959448067,disabled e3 cell,2.0,2.0
-3,e3_ligase,645,161,0.8002481389578163,0.19975186104218362,0.5317829457364341,0.4682170542635659,0.5279503105590062,0.4720496894409938,0.17647058823529413,0.8235294117647058,42,69,0.9209302325581395,0.16589147286821707,0.5735208988189697,0.7142857313156128,0.7444444298744202,0.7142857313156128,1.4587302207946777,0.7052631378173828,0.7882353067398071,0.7703560590744019,0.8689596652984619,0.4901960790157318,0.380952388048172,0.4901960790157318,0.8711484670639038,0.24242424964904785,0.8888888955116272,0.7275132536888123,256,8,1.2710799573159034e-05,beginning,14,False,True,0.2120743959448067,disabled poi e3 cell,2.0,2.0
-4,e3_ligase,645,161,0.8002481389578163,0.19975186104218362,0.5317829457364341,0.4682170542635659,0.5279503105590062,0.4720496894409938,0.17647058823529413,0.8235294117647058,41,80,0.9193798449612403,0.20310077519379846,0.38469067215919495,0.8695651888847351,0.8813559412956238,0.8695651888847351,1.7509211301803589,0.8478260636329651,0.9176470637321472,0.9277089834213257,12.03575611114502,0.6470588445663452,0.3076923191547394,0.6470588445663452,0.9547511339187622,0.23529411852359772,0.4444444477558136,0.6534391641616821,256,32,4.897897485866796e-05,beginning,10,True,True,0.16921049309587075,,2.0,2.0
-4,e3_ligase,645,161,0.8002481389578163,0.19975186104218362,0.5317829457364341,0.4682170542635659,0.5279503105590062,0.4720496894409938,0.17647058823529413,0.8235294117647058,41,80,0.9193798449612403,0.20310077519379846,0.5081685185432434,0.7888198494911194,0.8045976758003235,0.7888198494911194,1.5934175252914429,0.7865168452262878,0.8235294222831726,0.8467491865158081,1.3380855321884155,0.4313725531101227,0.38297873735427856,0.4313725531101227,0.8143513202667236,0.2368421107530594,1.0,0.6746031641960144,256,32,4.897897485866796e-05,beginning,10,True,True,0.16921049309587075,disabled poi,2.0,2.0
-4,e3_ligase,645,161,0.8002481389578163,0.19975186104218362,0.5317829457364341,0.4682170542635659,0.5279503105590062,0.4720496894409938,0.17647058823529413,0.8235294117647058,41,80,0.9193798449612403,0.20310077519379846,0.4837383031845093,0.7888198494911194,0.800000011920929,0.7888198494911194,1.5888198614120483,0.800000011920929,0.800000011920929,0.8631579279899597,1.2386113405227661,0.47058823704719543,0.4000000059604645,0.47058823704719543,0.8705882430076599,0.25,1.0,0.783068835735321,256,32,4.897897485866796e-05,beginning,10,True,True,0.16921049309587075,disabled cell,2.0,2.0
-4,e3_ligase,645,161,0.8002481389578163,0.19975186104218362,0.5317829457364341,0.4682170542635659,0.5279503105590062,0.4720496894409938,0.17647058823529413,0.8235294117647058,41,80,0.9193798449612403,0.20310077519379846,0.48496055603027344,0.8074533939361572,0.8248587846755981,0.8074533939361572,1.6323121786117554,0.79347825050354,0.8588235378265381,0.836377739906311,0.8277426362037659,0.6274510025978088,0.4864864945411682,0.6274510025978088,1.113937497138977,0.3214285671710968,1.0,0.7301586866378784,256,32,4.897897485866796e-05,beginning,10,True,True,0.16921049309587075,disabled smiles,2.0,2.0
-4,e3_ligase,645,161,0.8002481389578163,0.19975186104218362,0.5317829457364341,0.4682170542635659,0.5279503105590062,0.4720496894409938,0.17647058823529413,0.8235294117647058,41,80,0.9193798449612403,0.20310077519379846,0.5395529270172119,0.7515528202056885,0.782608687877655,0.7515528202056885,1.5341615676879883,0.7272727489471436,0.8470588326454163,0.8269349932670593,1.4574841260910034,0.29411765933036804,0.3333333432674408,0.29411765933036804,0.6274510025978088,0.20000000298023224,1.0,0.7407407760620117,256,32,4.897897485866796e-05,beginning,10,True,True,0.16921049309587075,disabled e3 cell,2.0,2.0
-4,e3_ligase,645,161,0.8002481389578163,0.19975186104218362,0.5317829457364341,0.4682170542635659,0.5279503105590062,0.4720496894409938,0.17647058823529413,0.8235294117647058,41,80,0.9193798449612403,0.20310077519379846,0.593326985836029,0.695652186870575,0.7537688612937927,0.695652186870575,1.4494210481643677,0.6578947305679321,0.8823529481887817,0.7869969606399536,1.1517640352249146,0.3921568691730499,0.3404255211353302,0.3921568691730499,0.7325823903083801,0.21052631735801697,0.8888888955116272,0.6137565970420837,256,32,4.897897485866796e-05,beginning,10,True,True,0.16921049309587075,disabled poi e3 cell,2.0,2.0
-0,uniprot,560,212,0.7253886010362695,0.27461139896373055,0.5446428571428571,0.45535714285714285,0.4056603773584906,0.5943396226415094,0.5411764705882353,0.4588235294117647,0,35,0.0,0.10357142857142858,0.6384392976760864,0.6462264060974121,0.6305418610572815,0.6462264060974121,1.2767682075500488,0.5470085740089417,0.7441860437393188,0.7404946088790894,0.7470682263374329,0.6117647290229797,0.6732673048973083,0.6117647290229797,1.285032033920288,0.6181818246841431,0.739130437374115,0.5713489055633545,512,32,1.4999172644291505e-05,sum,3,True,True,0.1345162823716716,,24.0,10.0
-0,uniprot,560,212,0.7253886010362695,0.27461139896373055,0.5446428571428571,0.45535714285714285,0.4056603773584906,0.5943396226415094,0.5411764705882353,0.4588235294117647,0,35,0.0,0.10357142857142858,0.7927297353744507,0.49056604504585266,0.5813953280448914,0.49056604504585266,1.0719614028930664,0.4360465109348297,0.8720930218696594,0.6362126469612122,0.7303346991539001,0.5176470875740051,0.5858585834503174,0.5176470875740051,1.1035056114196777,0.5471698045730591,0.6304348111152649,0.49860644340515137,512,32,1.4999172644291505e-05,sum,3,True,True,0.1345162823716716,disabled poi,24.0,10.0
-0,uniprot,560,212,0.7253886010362695,0.27461139896373055,0.5446428571428571,0.45535714285714285,0.4056603773584906,0.5943396226415094,0.5411764705882353,0.4588235294117647,0,35,0.0,0.10357142857142858,0.7029271125793457,0.6226415038108826,0.35483869910240173,0.6226415038108826,0.9774801731109619,0.5789473652839661,0.25581395626068115,0.6285529732704163,1.0390076637268066,0.5176470875740051,0.28070175647735596,0.5176470875740051,0.7983488440513611,0.7272727489471436,0.17391304671764374,0.4852285385131836,512,32,1.4999172644291505e-05,sum,3,True,True,0.1345162823716716,disabled cell,24.0,10.0
-0,uniprot,560,212,0.7253886010362695,0.27461139896373055,0.5446428571428571,0.45535714285714285,0.4056603773584906,0.5943396226415094,0.5411764705882353,0.4588235294117647,0,35,0.0,0.10357142857142858,0.7191120386123657,0.698113203048706,0.6666666865348816,0.698113203048706,1.3647799491882324,0.6037735939025879,0.7441860437393188,0.7635658979415894,0.6974286437034607,0.529411792755127,0.5833333134651184,0.529411792755127,1.1127450466156006,0.5600000023841858,0.6086956262588501,0.6268115639686584,512,32,1.4999172644291505e-05,sum,3,True,True,0.1345162823716716,disabled smiles,24.0,10.0
-0,uniprot,560,212,0.7253886010362695,0.27461139896373055,0.5446428571428571,0.45535714285714285,0.4056603773584906,0.5943396226415094,0.5411764705882353,0.4588235294117647,0,35,0.0,0.10357142857142858,0.6549152135848999,0.6698113083839417,0.6022727489471436,0.6698113083839417,1.2720839977264404,0.5888888835906982,0.6162790656089783,0.6518087387084961,0.8334653973579407,0.4117647111415863,0.375,0.4117647111415863,0.7867647409439087,0.44117647409439087,0.32608696818351746,0.4267001152038574,512,32,1.4999172644291505e-05,sum,3,True,True,0.1345162823716716,disabled e3 cell,24.0,10.0
-0,uniprot,560,212,0.7253886010362695,0.27461139896373055,0.5446428571428571,0.45535714285714285,0.4056603773584906,0.5943396226415094,0.5411764705882353,0.4588235294117647,0,35,0.0,0.10357142857142858,0.7489861249923706,0.551886796951294,0.5581395626068115,0.551886796951294,1.1100263595581055,0.4651162922382355,0.6976743936538696,0.5579549670219421,0.7472485899925232,0.5176470875740051,0.5591397881507874,0.5176470875740051,1.0767868757247925,0.5531914830207825,0.5652173757553101,0.46906352043151855,512,32,1.4999172644291505e-05,sum,3,True,True,0.1345162823716716,disabled poi e3 cell,24.0,10.0
-1,uniprot,627,145,0.8121761658031088,0.1878238341968912,0.5167464114832536,0.48325358851674644,0.46206896551724136,0.5379310344827586,0.5411764705882353,0.4588235294117647,0,28,0.0,0.06698564593301436,0.4192492663860321,0.882758617401123,0.8776978254318237,0.882758617401123,1.7604564428329468,0.8472222089767456,0.9104477763175964,0.914657473564148,0.6670985817909241,0.6470588445663452,0.6875,0.6470588445663452,1.3345588445663452,0.6600000262260437,0.717391312122345,0.7435897588729858,512,16,1.0355038769334324e-05,sum,3,False,True,0.445686378914531,,27.0,7.0
-1,uniprot,627,145,0.8121761658031088,0.1878238341968912,0.5167464114832536,0.48325358851674644,0.46206896551724136,0.5379310344827586,0.5411764705882353,0.4588235294117647,0,28,0.0,0.06698564593301436,0.6070228815078735,0.6689655184745789,0.6065573692321777,0.6689655184745789,1.2755229473114014,0.6727272868156433,0.5522388219833374,0.754305362701416,0.9004037380218506,0.43529412150382996,0.22580644488334656,0.43529412150382996,0.6611005663871765,0.4375,0.15217390656471252,0.5526756048202515,512,16,1.0355038769334324e-05,sum,3,False,True,0.445686378914531,disabled poi,27.0,7.0
-1,uniprot,627,145,0.8121761658031088,0.1878238341968912,0.5167464114832536,0.48325358851674644,0.46206896551724136,0.5379310344827586,0.5411764705882353,0.4588235294117647,0,28,0.0,0.06698564593301436,0.47976332902908325,0.7724137902259827,0.7317073345184326,0.7724137902259827,1.5041210651397705,0.8035714030265808,0.6716417670249939,0.8371603488922119,1.0876491069793701,0.42352941632270813,0.26865673065185547,0.42352941632270813,0.6921861171722412,0.4285714328289032,0.19565217196941376,0.42001113295555115,512,16,1.0355038769334324e-05,sum,3,False,True,0.445686378914531,disabled cell,27.0,7.0
-1,uniprot,627,145,0.8121761658031088,0.1878238341968912,0.5167464114832536,0.48325358851674644,0.46206896551724136,0.5379310344827586,0.5411764705882353,0.4588235294117647,0,28,0.0,0.06698564593301436,0.434501588344574,0.8206896781921387,0.8333333134651184,0.8206896781921387,1.6540229320526123,0.7303370833396912,0.9701492786407471,0.9196325540542603,0.6398911476135254,0.7176470756530762,0.7551020383834839,0.7176470756530762,1.47274911403656,0.7115384340286255,0.804347813129425,0.7076365351676941,512,16,1.0355038769334324e-05,sum,3,False,True,0.445686378914531,disabled smiles,27.0,7.0
-1,uniprot,627,145,0.8121761658031088,0.1878238341968912,0.5167464114832536,0.48325358851674644,0.46206896551724136,0.5379310344827586,0.5411764705882353,0.4588235294117647,0,28,0.0,0.06698564593301436,0.5161744952201843,0.7931034564971924,0.8051947951316833,0.7931034564971924,1.5982983112335205,0.7126436829566956,0.9253731369972229,0.8140069246292114,0.9223824143409729,0.4117647111415863,0.4444444477558136,0.4117647111415863,0.8562091588973999,0.4545454680919647,0.43478259444236755,0.4138795733451843,512,16,1.0355038769334324e-05,sum,3,False,True,0.445686378914531,disabled e3 cell,27.0,7.0
-1,uniprot,627,145,0.8121761658031088,0.1878238341968912,0.5167464114832536,0.48325358851674644,0.46206896551724136,0.5379310344827586,0.5411764705882353,0.4588235294117647,0,28,0.0,0.06698564593301436,0.6875741481781006,0.5862069129943848,0.5833333134651184,0.5862069129943848,1.1695401668548584,0.5454545617103577,0.6268656849861145,0.6331802606582642,0.9933332800865173,0.43529412150382996,0.4000000059604645,0.43529412150382996,0.8352941274642944,0.47058823704719543,0.3478260934352875,0.42614269256591797,512,16,1.0355038769334324e-05,sum,3,False,True,0.445686378914531,disabled poi e3 cell,27.0,7.0
-2,uniprot,662,110,0.8575129533678757,0.14248704663212436,0.5060422960725075,0.49395770392749244,0.509090909090909,0.4909090909090909,0.5411764705882353,0.4588235294117647,0,0,0.0,0.0,0.7038871645927429,0.5545454621315002,0.4842105209827423,0.5545454621315002,1.038756012916565,0.5897436141967773,0.4107142984867096,0.6139219403266907,0.689934253692627,0.6117647290229797,0.6451612710952759,0.6117647290229797,1.2569260597229004,0.6382978558540344,0.6521739363670349,0.6521739363670349,256,16,2.5420809497929118e-05,concat,14,True,False,0.12453369745597159,,28.0,6.0
-2,uniprot,662,110,0.8575129533678757,0.14248704663212436,0.5060422960725075,0.49395770392749244,0.509090909090909,0.4909090909090909,0.5411764705882353,0.4588235294117647,0,0,0.0,0.0,0.7159802317619324,0.5272727012634277,0.59375,0.5272727012634277,1.1210227012634277,0.5277777910232544,0.6785714030265808,0.5223214626312256,0.706206202507019,0.5058823823928833,0.5227272510528564,0.5058823823928833,1.0286096334457397,0.5476190447807312,0.5,0.5353957414627075,256,16,2.5420809497929118e-05,concat,14,True,False,0.12453369745597159,disabled poi,28.0,6.0
-2,uniprot,662,110,0.8575129533678757,0.14248704663212436,0.5060422960725075,0.49395770392749244,0.509090909090909,0.4909090909090909,0.5411764705882353,0.4588235294117647,0,0,0.0,0.0,0.7092201709747314,0.5,0.4444444477558136,0.5,0.9444444179534912,0.5116279125213623,0.3928571343421936,0.6068121194839478,0.7024839520454407,0.5529412031173706,0.5957446694374084,0.5529412031173706,1.1486859321594238,0.5833333134651184,0.6086956262588501,0.5420846939086914,256,16,2.5420809497929118e-05,concat,14,True,False,0.12453369745597159,disabled cell,28.0,6.0
-2,uniprot,662,110,0.8575129533678757,0.14248704663212436,0.5060422960725075,0.49395770392749244,0.509090909090909,0.4909090909090909,0.5411764705882353,0.4588235294117647,0,0,0.0,0.0,0.7565687298774719,0.48181816935539246,0.3132530152797699,0.48181816935539246,0.7950711846351624,0.48148149251937866,0.2321428507566452,0.5482804775238037,0.689896821975708,0.6235294342041016,0.5789473652839661,0.6235294342041016,1.2024767398834229,0.7333333492279053,0.47826087474823,0.6797658801078796,256,16,2.5420809497929118e-05,concat,14,True,False,0.12453369745597159,disabled smiles,28.0,6.0
-2,uniprot,662,110,0.8575129533678757,0.14248704663212436,0.5060422960725075,0.49395770392749244,0.509090909090909,0.4909090909090909,0.5411764705882353,0.4588235294117647,0,0,0.0,0.0,0.8484670519828796,0.4545454680919647,0.11764705926179886,0.4545454680919647,0.5721925497055054,0.3333333432674408,0.0714285746216774,0.5654761791229248,0.7950618267059326,0.4941176474094391,0.39436620473861694,0.4941176474094391,0.8884838819503784,0.5600000023841858,0.30434781312942505,0.5036231875419617,256,16,2.5420809497929118e-05,concat,14,True,False,0.12453369745597159,disabled e3 cell,28.0,6.0
-2,uniprot,662,110,0.8575129533678757,0.14248704663212436,0.5060422960725075,0.49395770392749244,0.509090909090909,0.4909090909090909,0.5411764705882353,0.4588235294117647,0,0,0.0,0.0,0.7104326486587524,0.48181816935539246,0.5581395626068115,0.48181816935539246,1.0399577617645264,0.4931506812572479,0.6428571343421936,0.48445767164230347,0.7121928334236145,0.5176470875740051,0.6168224215507507,0.5176470875740051,1.1344695091247559,0.5409836173057556,0.717391312122345,0.4411928653717041,256,16,2.5420809497929118e-05,concat,14,True,False,0.12453369745597159,disabled poi e3 cell,28.0,6.0
-3,uniprot,546,226,0.7072538860103627,0.2927461139896373,0.4835164835164835,0.5164835164835165,0.5619469026548672,0.43805309734513276,0.5411764705882353,0.4588235294117647,0,8,0.0,0.040293040293040296,0.6677377223968506,0.5619469285011292,0.6346863508224487,0.5619469285011292,1.1966333389282227,0.5972222089767456,0.6771653294563293,0.5705082416534424,0.7754848599433899,0.5058823823928833,0.5714285969734192,0.5058823823928833,1.0773110389709473,0.5384615659713745,0.6086956262588501,0.4487179219722748,256,32,1.4209357498115797e-05,sum,14,True,True,0.4598403526554519,,27.0,7.0
-3,uniprot,546,226,0.7072538860103627,0.2927461139896373,0.4835164835164835,0.5164835164835165,0.5619469026548672,0.43805309734513276,0.5411764705882353,0.4588235294117647,0,8,0.0,0.040293040293040296,0.7300492525100708,0.5353982448577881,0.5945945978164673,0.5353982448577881,1.1299928426742554,0.5833333134651184,0.6062992215156555,0.5277976989746094,0.7681865096092224,0.4470588266849518,0.48351648449897766,0.4470588266849518,0.9305753111839294,0.4888888895511627,0.47826087474823,0.424470454454422,256,32,1.4209357498115797e-05,sum,14,True,True,0.4598403526554519,disabled poi,27.0,7.0
-3,uniprot,546,226,0.7072538860103627,0.2927461139896373,0.4835164835164835,0.5164835164835165,0.5619469026548672,0.43805309734513276,0.5411764705882353,0.4588235294117647,0,8,0.0,0.040293040293040296,0.8918203711509705,0.508849561214447,0.36571428179740906,0.508849561214447,0.8745638132095337,0.6666666865348816,0.25196850299835205,0.4881491959095001,0.7600220441818237,0.5529412031173706,0.5,0.5529412031173706,1.0529412031173706,0.6333333253860474,0.41304346919059753,0.5760869979858398,256,32,1.4209357498115797e-05,sum,14,True,True,0.4598403526554519,disabled cell,27.0,7.0
-3,uniprot,546,226,0.7072538860103627,0.2927461139896373,0.4835164835164835,0.5164835164835165,0.5619469026548672,0.43805309734513276,0.5411764705882353,0.4588235294117647,0,8,0.0,0.040293040293040296,0.7297431230545044,0.4955752193927765,0.4910714328289032,0.4955752193927765,0.9866466522216797,0.5670102834701538,0.4330708682537079,0.5728147029876709,0.7028821706771851,0.5647059082984924,0.6476190686225891,0.5647059082984924,1.2123249769210815,0.5762711763381958,0.739130437374115,0.6167781352996826,256,32,1.4209357498115797e-05,sum,14,True,True,0.4598403526554519,disabled smiles,27.0,7.0
-3,uniprot,546,226,0.7072538860103627,0.2927461139896373,0.4835164835164835,0.5164835164835165,0.5619469026548672,0.43805309734513276,0.5411764705882353,0.4588235294117647,0,8,0.0,0.040293040293040296,0.7283397912979126,0.48230087757110596,0.5411764979362488,0.48230087757110596,1.02347731590271,0.5390625,0.5433070659637451,0.508669376373291,0.7355983257293701,0.5058823823928833,0.6181818246841431,0.5058823823928833,1.1240642070770264,0.53125,0.739130437374115,0.4952619671821594,256,32,1.4209357498115797e-05,sum,14,True,True,0.4598403526554519,disabled e3 cell,27.0,7.0
-3,uniprot,546,226,0.7072538860103627,0.2927461139896373,0.4835164835164835,0.5164835164835165,0.5619469026548672,0.43805309734513276,0.5411764705882353,0.4588235294117647,0,8,0.0,0.040293040293040296,0.6983091831207275,0.48230087757110596,0.5375494360923767,0.48230087757110596,1.019850254058838,0.5396825671195984,0.5354330539703369,0.4628966450691223,0.6913105249404907,0.5647059082984924,0.6105263233184814,0.5647059082984924,1.175232172012329,0.5918367505073547,0.6304348111152649,0.4629319906234741,256,32,1.4209357498115797e-05,sum,14,True,True,0.4598403526554519,disabled poi e3 cell,27.0,7.0
-4,uniprot,693,79,0.8976683937823834,0.10233160621761658,0.48484848484848486,0.5151515151515151,0.6962025316455697,0.3037974683544304,0.5411764705882353,0.4588235294117647,0,8,0.0,0.01443001443001443,0.6698325872421265,0.49367088079452515,0.6363636255264282,0.49367088079452515,1.1300344467163086,0.6363636255264282,0.6363636255264282,0.4310606122016907,0.8964346647262573,0.5411764979362488,0.5714285969734192,0.5411764979362488,1.112605094909668,0.5777778029441833,0.5652173757553101,0.5429208278656006,512,8,1.4296141891288488e-05,sum,6,False,True,0.4463759547019735,,30.0,4.0
-4,uniprot,693,79,0.8976683937823834,0.10233160621761658,0.48484848484848486,0.5151515151515151,0.6962025316455697,0.3037974683544304,0.5411764705882353,0.4588235294117647,0,8,0.0,0.01443001443001443,0.7613534331321716,0.4810126721858978,0.5858585834503174,0.4810126721858978,1.0668712854385376,0.6590909361839294,0.5272727012634277,0.48712122440338135,0.7450063824653625,0.4470588266849518,0.4337349534034729,0.4470588266849518,0.8807938098907471,0.4864864945411682,0.3913043439388275,0.510869562625885,512,8,1.4296141891288488e-05,sum,6,False,True,0.4463759547019735,disabled poi,30.0,4.0
-4,uniprot,693,79,0.8976683937823834,0.10233160621761658,0.48484848484848486,0.5151515151515151,0.6962025316455697,0.3037974683544304,0.5411764705882353,0.4588235294117647,0,8,0.0,0.01443001443001443,0.6861480474472046,0.49367088079452515,0.5348837375640869,0.49367088079452515,1.0285546779632568,0.7419354915618896,0.41818180680274963,0.5950757265090942,0.80420982837677,0.4000000059604645,0.4137931168079376,0.4000000059604645,0.8137931227684021,0.4390243887901306,0.3913043439388275,0.43673354387283325,512,8,1.4296141891288488e-05,sum,6,False,True,0.4463759547019735,disabled cell,30.0,4.0
-4,uniprot,693,79,0.8976683937823834,0.10233160621761658,0.48484848484848486,0.5151515151515151,0.6962025316455697,0.3037974683544304,0.5411764705882353,0.4588235294117647,0,8,0.0,0.01443001443001443,0.5672126412391663,0.7088607549667358,0.8244274854660034,0.7088607549667358,1.5332882404327393,0.7105262875556946,0.9818181991577148,0.7579545378684998,0.7777218222618103,0.5647059082984924,0.6336633563041687,0.5647059082984924,1.1983692646026611,0.581818163394928,0.695652186870575,0.5939241647720337,512,8,1.4296141891288488e-05,sum,6,False,True,0.4463759547019735,disabled smiles,30.0,4.0
-4,uniprot,693,79,0.8976683937823834,0.10233160621761658,0.48484848484848486,0.5151515151515151,0.6962025316455697,0.3037974683544304,0.5411764705882353,0.4588235294117647,0,8,0.0,0.01443001443001443,0.7051544189453125,0.5443037748336792,0.5813953280448914,0.5443037748336792,1.1256990432739258,0.8064516186714172,0.4545454680919647,0.6193182468414307,0.7642167806625366,0.38823530077934265,0.44680851697921753,0.38823530077934265,0.8350437879562378,0.4375,0.45652174949645996,0.4272575378417969,512,8,1.4296141891288488e-05,sum,6,False,True,0.4463759547019735,disabled e3 cell,30.0,4.0
-4,uniprot,693,79,0.8976683937823834,0.10233160621761658,0.48484848484848486,0.5151515151515151,0.6962025316455697,0.3037974683544304,0.5411764705882353,0.4588235294117647,0,8,0.0,0.01443001443001443,0.7558135390281677,0.4303797483444214,0.5360824465751648,0.4303797483444214,0.9664621949195862,0.6190476417541504,0.4727272689342499,0.3291666507720947,0.7339422106742859,0.47058823704719543,0.5263158082962036,0.47058823704719543,0.9969040155410767,0.5102040767669678,0.54347825050354,0.47686731815338135,512,8,1.4296141891288488e-05,sum,6,False,True,0.4463759547019735,disabled poi e3 cell,30.0,4.0
-0,random,616,155,0.7989623865110247,0.20103761348897536,0.5146103896103896,0.48538961038961037,0.5161290322580645,0.4838709677419355,0.46511627906976744,0.5348837209302325,41,60,0.8863636363636364,0.1461038961038961,0.5137356519699097,0.7419354915618896,0.75,0.7419354915618896,1.4919354915618896,0.75,0.75,0.831166684627533,0.6694870591163635,0.7325581312179565,0.75789475440979,0.7325581312179565,1.4904528856277466,0.6545454263687134,0.8999999761581421,0.770108699798584,512,32,5.601155031839744e-05,concat,6,True,True,0.1194606735771354,disabled e3,,
-1,random,617,154,0.8002594033722439,0.19974059662775617,0.513776337115073,0.4862236628849271,0.5194805194805194,0.4805194805194805,0.46511627906976744,0.5348837209302325,43,71,0.9205834683954619,0.1880064829821718,0.395275741815567,0.8311688303947449,0.8433734774589539,0.8311688303947449,1.6745423078536987,0.8139534592628479,0.875,0.8949325084686279,0.6372511386871338,0.7209302186965942,0.739130437374115,0.7209302186965942,1.4600605964660645,0.6538461446762085,0.8500000238418579,0.7858695983886719,768,8,3.6864013434452964e-05,sum,9,False,True,0.2776739335318258,disabled e3,,
-2,random,617,154,0.8002594033722439,0.19974059662775617,0.5153970826580226,0.4846029173419773,0.512987012987013,0.487012987012987,0.46511627906976744,0.5348837209302325,43,54,0.9141004862236629,0.14424635332252836,0.5552913546562195,0.7857142686843872,0.7814569473266602,0.7857142686843872,1.5671712160110474,0.8194444179534912,0.746835470199585,0.8408438563346863,0.6634523868560791,0.6627907156944275,0.6881720423698425,0.6627907156944275,1.35096275806427,0.6037735939025879,0.800000011920929,0.750543475151062,512,16,2.4013417167584638e-05,concat,3,False,True,0.1285651118242937,disabled e3,,
-3,random,617,154,0.8002594033722439,0.19974059662775617,0.5153970826580226,0.4846029173419773,0.512987012987013,0.487012987012987,0.46511627906976744,0.5348837209302325,38,69,0.8768233387358185,0.1620745542949757,0.4819706380367279,0.7857142686843872,0.8114285469055176,0.7857142686843872,1.5971428155899048,0.7395833134651184,0.8987341523170471,0.8494515419006348,0.7173431515693665,0.6976743936538696,0.7400000095367432,0.6976743936538696,1.4376744031906128,0.6166666746139526,0.925000011920929,0.7353260517120361,256,32,1.9371068581747328e-05,beginning,5,True,True,0.32661927895710785,disabled e3,,
-4,random,617,154,0.8002594033722439,0.19974059662775617,0.5153970826580226,0.4846029173419773,0.512987012987013,0.487012987012987,0.46511627906976744,0.5348837209302325,40,70,0.9108589951377634,0.1766612641815235,0.48326799273490906,0.7857142686843872,0.8176795840263367,0.7857142686843872,1.603393793106079,0.7254902124404907,0.9367088675498962,0.8754431009292603,0.7080944180488586,0.6860465407371521,0.7326732873916626,0.6860465407371521,1.41871976852417,0.6065573692321777,0.925000011920929,0.7961956262588501,768,16,2.896766103854353e-05,sum,3,False,True,0.15272045937346984,disabled e3,,
-0,e3_ligase,644,162,0.7990074441687345,0.20099255583126552,0.531055900621118,0.468944099378882,0.5308641975308642,0.4691358024691358,0.17647058823529413,0.8235294117647058,38,71,0.8773291925465838,0.16925465838509315,0.4396456480026245,0.8148148059844971,0.8369565010070801,0.8148148059844971,1.6517713069915771,0.7857142686843872,0.895348846912384,0.8901468515396118,1.5874789953231812,0.4117647111415863,0.375,0.4117647111415863,0.7867647409439087,0.23076923191547394,1.0,0.6243386268615723,768,32,2.012136051709938e-05,concat,5,False,True,0.22622501478687262,disabled e3,2.0,2.0
-1,e3_ligase,645,161,0.8002481389578163,0.19975186104218362,0.5302325581395348,0.4697674418604651,0.5341614906832298,0.4658385093167702,0.17647058823529413,0.8235294117647058,40,78,0.9333333333333333,0.2,0.4386642277240753,0.7950310707092285,0.800000011920929,0.7950310707092285,1.5950310230255127,0.8354430198669434,0.7674418687820435,0.8806201219558716,1.2595574855804443,0.47058823704719543,0.3720930218696594,0.47058823704719543,0.8426812887191772,0.23529411852359772,0.8888888955116272,0.6455026865005493,512,32,1.3471178493931514e-05,beginning,6,True,True,0.21912562190077992,disabled e3,2.0,2.0
-2,e3_ligase,645,161,0.8002481389578163,0.19975186104218362,0.5302325581395348,0.4697674418604651,0.5341614906832298,0.4658385093167702,0.17647058823529413,0.8235294117647058,37,69,0.9007751937984496,0.19069767441860466,0.47282570600509644,0.7763975262641907,0.7721518874168396,0.7763975262641907,1.5485494136810303,0.8472222089767456,0.7093023061752319,0.8809301853179932,1.0046319961547852,0.5490196347236633,0.41025641560554504,0.5490196347236633,0.9592760801315308,0.2666666805744171,0.8888888955116272,0.6772487163543701,768,16,1.3939698836118966e-05,sum,7,True,True,0.17616412205244186,disabled e3,2.0,2.0
-3,e3_ligase,645,161,0.8002481389578163,0.19975186104218362,0.5317829457364341,0.4682170542635659,0.5279503105590062,0.4720496894409938,0.17647058823529413,0.8235294117647058,42,69,0.9209302325581395,0.16589147286821707,0.5629382729530334,0.7204968929290771,0.759358286857605,0.7204968929290771,1.4798551797866821,0.6960784196853638,0.8352941274642944,0.8252321481704712,1.2526665925979614,0.5686274766921997,0.44999998807907104,0.5686274766921997,1.018627405166626,0.29032257199287415,1.0,0.761904776096344,256,8,1.2710799573159034e-05,beginning,14,False,True,0.2120743959448067,disabled e3,2.0,2.0
-4,e3_ligase,645,161,0.8002481389578163,0.19975186104218362,0.5317829457364341,0.4682170542635659,0.5279503105590062,0.4720496894409938,0.17647058823529413,0.8235294117647058,41,80,0.9193798449612403,0.20310077519379846,0.47912535071372986,0.8136646151542664,0.8275862336158752,0.8136646151542664,1.6412508487701416,0.8089887499809265,0.8470588326454163,0.8608359098434448,1.1564266681671143,0.529411792755127,0.4285714328289032,0.529411792755127,0.9579832553863525,0.27272728085517883,1.0,0.70634925365448,256,32,4.897897485866796e-05,beginning,10,True,True,0.16921049309587075,disabled e3,2.0,2.0
-0,uniprot,560,212,0.7253886010362695,0.27461139896373055,0.5446428571428571,0.45535714285714285,0.4056603773584906,0.5943396226415094,0.5411764705882353,0.4588235294117647,0,35,0.0,0.10357142857142858,0.6570445895195007,0.650943398475647,0.569767415523529,0.650943398475647,1.2207107543945312,0.569767415523529,0.569767415523529,0.6526393890380859,0.8408581018447876,0.5529412031173706,0.3870967626571655,0.5529412031173706,0.9400379657745361,0.75,0.260869562625885,0.46822744607925415,512,32,1.4999172644291505e-05,sum,3,True,True,0.1345162823716716,disabled e3,24.0,10.0
-1,uniprot,627,145,0.8121761658031088,0.1878238341968912,0.5167464114832536,0.48325358851674644,0.46206896551724136,0.5379310344827586,0.5411764705882353,0.4588235294117647,0,28,0.0,0.06698564593301436,0.4547560513019562,0.7724137902259827,0.7843137383460999,0.7724137902259827,1.5567275285720825,0.6976743936538696,0.89552241563797,0.8763872981071472,0.7688263654708862,0.5882353186607361,0.6153846383094788,0.5882353186607361,1.2036199569702148,0.6222222447395325,0.6086956262588501,0.5808249711990356,512,16,1.0355038769334324e-05,sum,3,False,True,0.445686378914531,disabled e3,27.0,7.0
-2,uniprot,662,110,0.8575129533678757,0.14248704663212436,0.5060422960725075,0.49395770392749244,0.509090909090909,0.4909090909090909,0.5411764705882353,0.4588235294117647,0,0,0.0,0.0,0.8046701550483704,0.5454545617103577,0.3589743673801422,0.5454545617103577,0.9044289588928223,0.6363636255264282,0.25,0.5785383582115173,0.7978597283363342,0.4588235318660736,0.37837839126586914,0.4588235318660736,0.8372019529342651,0.5,0.30434781312942505,0.5423634052276611,256,16,2.5420809497929118e-05,concat,14,True,False,0.12453369745597159,disabled e3,28.0,6.0
-3,uniprot,546,226,0.7072538860103627,0.2927461139896373,0.4835164835164835,0.5164835164835165,0.5619469026548672,0.43805309734513276,0.5411764705882353,0.4588235294117647,0,8,0.0,0.040293040293040296,0.7238333821296692,0.47787609696388245,0.4732142984867096,0.47787609696388245,0.951090395450592,0.5463917255401611,0.4173228442668915,0.46011292934417725,0.7563382387161255,0.4588235318660736,0.4651162922382355,0.4588235318660736,0.9239398241043091,0.5,0.43478259444236755,0.47881829738616943,256,32,1.4209357498115797e-05,sum,14,True,True,0.4598403526554519,disabled e3,27.0,7.0
-4,uniprot,693,79,0.8976683937823834,0.10233160621761658,0.48484848484848486,0.5151515151515151,0.6962025316455697,0.3037974683544304,0.5411764705882353,0.4588235294117647,0,8,0.0,0.01443001443001443,0.7527484893798828,0.5443037748336792,0.5714285969734192,0.5443037748336792,1.1157324314117432,0.8275862336158752,0.4363636374473572,0.560606062412262,0.8644971251487732,0.48235294222831726,0.3333333432674408,0.48235294222831726,0.8156862854957581,0.550000011920929,0.239130437374115,0.4843924343585968,512,8,1.4296141891288488e-05,sum,6,False,True,0.4463759547019735,disabled e3,30.0,4.0
-0,tanimoto,497,275,0.6437823834196891,0.35621761658031087,0.4909456740442656,0.5090543259557344,0.5563636363636364,0.44363636363636366,0.47058823529411764,0.5294117647058824,45,0,0.9577464788732394,0.0,38,17,0.5190397500991821,0.7599999904632568,0.7962962985038757,0.7599999904632568,1.5562963485717773,0.7543859481811523,0.843137264251709,0.837270975112915,0.6044019460678101,0.7058823704719543,0.6376811861991882,0.7058823704719543,1.3435635566711426,0.7586206793785095,0.550000011920929,0.8033334016799927,768,8,4.475305228076765e-05,concat,12,True,False,0.18113271658630692,
-0,tanimoto,497,275,0.6437823834196891,0.35621761658031087,0.4909456740442656,0.5090543259557344,0.5563636363636364,0.44363636363636366,0.47058823529411764,0.5294117647058824,45,0,0.9577464788732394,0.0,38,17,0.5338776111602783,0.7345454692840576,0.7574750781059265,0.7345454692840576,1.492020606994629,0.7702702879905701,0.7450980544090271,0.8165380954742432,0.7357627153396606,0.658823549747467,0.5396825671195984,0.658823549747467,1.1985061168670654,0.739130437374115,0.42500001192092896,0.7427778244018555,768,8,4.475305228076765e-05,concat,12,True,False,0.18113271658630692,disabled e3
-0,tanimoto,497,275,0.6437823834196891,0.35621761658031087,0.4909456740442656,0.5090543259557344,0.5563636363636364,0.44363636363636366,0.47058823529411764,0.5294117647058824,45,0,0.9577464788732394,0.0,38,17,0.6159622669219971,0.6945454478263855,0.6818181872367859,0.6945454478263855,1.3763636350631714,0.8108108043670654,0.5882353186607361,0.8014036417007446,0.5939090251922607,0.729411780834198,0.701298713684082,0.729411780834198,1.4307105541229248,0.7297297120094299,0.675000011920929,0.7741665840148926,768,8,4.475305228076765e-05,concat,12,True,False,0.18113271658630692,disabled poi
-0,tanimoto,497,275,0.6437823834196891,0.35621761658031087,0.4909456740442656,0.5090543259557344,0.5563636363636364,0.44363636363636366,0.47058823529411764,0.5294117647058824,45,0,0.9577464788732394,0.0,38,17,0.6329562067985535,0.6872727274894714,0.6666666865348816,0.6872727274894714,1.353939414024353,0.8190476298332214,0.5620915293693542,0.786215603351593,0.916072428226471,0.6941176652908325,0.5666666626930237,0.6941176652908325,1.260784387588501,0.8500000238418579,0.42500001192092896,0.7616666555404663,768,8,4.475305228076765e-05,concat,12,True,False,0.18113271658630692,disabled cell
-0,tanimoto,497,275,0.6437823834196891,0.35621761658031087,0.4909456740442656,0.5090543259557344,0.5563636363636364,0.44363636363636366,0.47058823529411764,0.5294117647058824,45,0,0.9577464788732394,0.0,38,17,0.5500625967979431,0.7272727489471436,0.747474730014801,0.7272727489471436,1.4747474193572998,0.7708333134651184,0.7254902124404907,0.8121450543403625,0.6741728782653809,0.7058823704719543,0.5901639461517334,0.7058823704719543,1.296046257019043,0.8571428656578064,0.44999998807907104,0.758888840675354,768,8,4.475305228076765e-05,concat,12,True,False,0.18113271658630692,disabled smiles
-0,tanimoto,497,275,0.6437823834196891,0.35621761658031087,0.4909456740442656,0.5090543259557344,0.5563636363636364,0.44363636363636366,0.47058823529411764,0.5294117647058824,45,0,0.9577464788732394,0.0,38,17,0.5782099962234497,0.6472727060317993,0.6666666865348816,0.6472727060317993,1.3139393329620361,0.7028985619544983,0.6339869499206543,0.7668756246566772,0.8501086831092834,0.658823549747467,0.5797101259231567,0.658823549747467,1.2385337352752686,0.6896551847457886,0.5,0.7094444036483765,768,8,4.475305228076765e-05,concat,12,True,False,0.18113271658630692,disabled e3 cell
-0,tanimoto,497,275,0.6437823834196891,0.35621761658031087,0.4909456740442656,0.5090543259557344,0.5563636363636364,0.44363636363636366,0.47058823529411764,0.5294117647058824,45,0,0.9577464788732394,0.0,38,17,0.6240918636322021,0.6218181848526001,0.6285714507102966,0.6218181848526001,1.250389575958252,0.6929134130477905,0.5751634240150452,0.7040608525276184,0.6257845163345337,0.658823549747467,0.650602400302887,0.658823549747467,1.309425950050354,0.6279069781303406,0.675000011920929,0.6741666793823242,768,8,4.475305228076765e-05,concat,12,True,False,0.18113271658630692,disabled poi e3 cell
-1,tanimoto,660,112,0.8549222797927462,0.14507772020725387,0.5151515151515151,0.48484848484848486,0.5089285714285714,0.49107142857142855,0.47058823529411764,0.5294117647058824,32,0,0.7893939393939394,0.0,45,10,0.46602964401245117,0.7678571343421936,0.7833333611488342,0.7678571343421936,1.5511904954910278,0.7460317611694336,0.8245614171028137,0.8564593195915222,0.5951801538467407,0.7176470756530762,0.6571428775787354,0.7176470756530762,1.3747899532318115,0.7666666507720947,0.574999988079071,0.861111044883728,768,16,1.0346768177890783e-05,beginning,11,False,True,0.4588021341151147,
-1,tanimoto,660,112,0.8549222797927462,0.14507772020725387,0.5151515151515151,0.48484848484848486,0.5089285714285714,0.49107142857142855,0.47058823529411764,0.5294117647058824,32,0,0.7893939393939394,0.0,45,10,0.575535237789154,0.7321428656578064,0.75,0.7321428656578064,1.4821429252624512,0.7142857313156128,0.7894737124443054,0.7987241148948669,0.8468737602233887,0.658823549747467,0.5245901346206665,0.658823549747467,1.1834137439727783,0.761904776096344,0.4000000059604645,0.7727777361869812,768,16,1.0346768177890783e-05,beginning,11,False,True,0.4588021341151147,disabled e3
-1,tanimoto,660,112,0.8549222797927462,0.14507772020725387,0.5151515151515151,0.48484848484848486,0.5089285714285714,0.49107142857142855,0.47058823529411764,0.5294117647058824,32,0,0.7893939393939394,0.0,45,10,0.6423597931861877,0.6607142686843872,0.6346153616905212,0.6607142686843872,1.2953295707702637,0.7021276354789734,0.5789473652839661,0.7529505491256714,0.6160295009613037,0.6470588445663452,0.5588235259056091,0.6470588445663452,1.2058823108673096,0.6785714030265808,0.4749999940395355,0.7980555295944214,768,16,1.0346768177890783e-05,beginning,11,False,True,0.4588021341151147,disabled poi
-1,tanimoto,660,112,0.8549222797927462,0.14507772020725387,0.5151515151515151,0.48484848484848486,0.5089285714285714,0.49107142857142855,0.47058823529411764,0.5294117647058824,32,0,0.7893939393939394,0.0,45,10,0.5558239221572876,0.7410714030265808,0.752136766910553,0.7410714030265808,1.4932081699371338,0.7333333492279053,0.7719298005104065,0.7996810674667358,0.6487298607826233,0.7058823704719543,0.6153846383094788,0.7058823704719543,1.321267008781433,0.800000011920929,0.5,0.7755554914474487,768,16,1.0346768177890783e-05,beginning,11,False,True,0.4588021341151147,disabled cell
-1,tanimoto,660,112,0.8549222797927462,0.14507772020725387,0.5151515151515151,0.48484848484848486,0.5089285714285714,0.49107142857142855,0.47058823529411764,0.5294117647058824,32,0,0.7893939393939394,0.0,45,10,0.48557132482528687,0.7589285969734192,0.7804877758026123,0.7589285969734192,1.5394163131713867,0.7272727489471436,0.8421052694320679,0.8169059157371521,0.7865338325500488,0.7176470756530762,0.625,0.7176470756530762,1.3426470756530762,0.8333333134651184,0.5,0.7388888597488403,768,16,1.0346768177890783e-05,beginning,11,False,True,0.4588021341151147,disabled smiles
-1,tanimoto,660,112,0.8549222797927462,0.14507772020725387,0.5151515151515151,0.48484848484848486,0.5089285714285714,0.49107142857142855,0.47058823529411764,0.5294117647058824,32,0,0.7893939393939394,0.0,45,10,0.6175188422203064,0.6517857313156128,0.642201840877533,0.6517857313156128,1.293987512588501,0.6730769276618958,0.6140350699424744,0.7642742991447449,0.8545271158218384,0.5882353186607361,0.38596490025520325,0.5882353186607361,0.9742002487182617,0.6470588445663452,0.2750000059604645,0.7183333039283752,768,16,1.0346768177890783e-05,beginning,11,False,True,0.4588021341151147,disabled e3 cell
-1,tanimoto,660,112,0.8549222797927462,0.14507772020725387,0.5151515151515151,0.48484848484848486,0.5089285714285714,0.49107142857142855,0.47058823529411764,0.5294117647058824,32,0,0.7893939393939394,0.0,45,10,0.7327066659927368,0.5982142686843872,0.5794392228126526,0.5982142686843872,1.1776535511016846,0.6200000047683716,0.5438596606254578,0.6228070259094238,0.6312723755836487,0.5529412031173706,0.42424243688583374,0.5529412031173706,0.9771836400032043,0.5384615659713745,0.3499999940395355,0.6508333086967468,768,16,1.0346768177890783e-05,beginning,11,False,True,0.4588021341151147,disabled poi e3 cell
-2,tanimoto,674,98,0.8730569948186528,0.12694300518134716,0.5341246290801187,0.4658753709198813,0.37755102040816324,0.6224489795918368,0.47058823529411764,0.5294117647058824,34,0,0.7106824925816023,0.0,44,11,0.5389681458473206,0.7653061151504517,0.6849315166473389,0.7653061151504517,1.4502376317977905,0.6944444179534912,0.6756756901741028,0.8258750438690186,0.6356504559516907,0.729411780834198,0.6666666865348816,0.729411780834198,1.3960784673690796,0.7931034564971924,0.574999988079071,0.855555534362793,256,8,9.284424346245154e-05,sum,4,True,True,0.10449287356241183,
-2,tanimoto,674,98,0.8730569948186528,0.12694300518134716,0.5341246290801187,0.4658753709198813,0.37755102040816324,0.6224489795918368,0.47058823529411764,0.5294117647058824,34,0,0.7106824925816023,0.0,44,11,0.5564432740211487,0.7755101919174194,0.738095223903656,0.7755101919174194,1.5136053562164307,0.6595744490623474,0.837837815284729,0.8241028189659119,0.752370297908783,0.6823529601097107,0.6086956262588501,0.6823529601097107,1.291048526763916,0.7241379022598267,0.5249999761581421,0.7522221803665161,256,8,9.284424346245154e-05,sum,4,True,True,0.10449287356241183,disabled e3
-2,tanimoto,674,98,0.8730569948186528,0.12694300518134716,0.5341246290801187,0.4658753709198813,0.37755102040816324,0.6224489795918368,0.47058823529411764,0.5294117647058824,34,0,0.7106824925816023,0.0,44,11,0.5206137895584106,0.7551020383834839,0.7209302186965942,0.7551020383834839,1.4760322570800781,0.6326530575752258,0.837837815284729,0.8413823843002319,0.6186237335205078,0.7411764860153198,0.7555555701255798,0.7411764860153198,1.4967319965362549,0.6800000071525574,0.8500000238418579,0.7819445133209229,256,8,9.284424346245154e-05,sum,4,True,True,0.10449287356241183,disabled poi
-2,tanimoto,674,98,0.8730569948186528,0.12694300518134716,0.5341246290801187,0.4658753709198813,0.37755102040816324,0.6224489795918368,0.47058823529411764,0.5294117647058824,34,0,0.7106824925816023,0.0,44,11,0.5406548976898193,0.7244898080825806,0.6896551847457886,0.7244898080825806,1.4141449928283691,0.6000000238418579,0.8108108043670654,0.84470534324646,0.6722796559333801,0.7411764860153198,0.6857143044471741,0.7411764860153198,1.4268908500671387,0.800000011920929,0.6000000238418579,0.7633333206176758,256,8,9.284424346245154e-05,sum,4,True,True,0.10449287356241183,disabled cell
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reports/cv_report_hparam_search_5-splits_Active_Dmax_0.6_pDC50_6.0_test_split_0.2.csv

@@ -1,141 +0,0 @@
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-1,random,549,137,0.8002915451895044,0.19970845481049562,0.51183970856102,0.48816029143898,0.5109489051094891,0.48905109489051096,0.5029239766081871,0.49707602339181284,33,55,0.8069216757741348,0.1384335154826958,0.407288134098053,0.8394160866737366,0.8472222089767456,0.8394160866737366,1.686638355255127,0.8243243098258972,0.8714285492897034,0.9119402766227722,0.6806941628456116,0.7426900863647461,0.7659574747085571,0.7426900863647461,1.5086475610733032,0.7058823704719543,0.8372092843055725,0.8279069662094116,512,32,6.051486639727546e-05,sum,3,True,True,0.11589639827158782,,,
-1,random,549,137,0.8002915451895044,0.19970845481049562,0.51183970856102,0.48816029143898,0.5109489051094891,0.48905109489051096,0.5029239766081871,0.49707602339181284,33,55,0.8069216757741348,0.1384335154826958,0.4671671986579895,0.7810218930244446,0.7972972989082336,0.7810218930244446,1.5783191919326782,0.7564102411270142,0.8428571224212646,0.8434967994689941,0.5791648030281067,0.7309941649436951,0.7604166865348816,0.7309941649436951,1.4914108514785767,0.6886792182922363,0.8488371968269348,0.7833105325698853,512,32,6.051486639727546e-05,sum,3,True,True,0.11589639827158782,disabled poi,,
-1,random,549,137,0.8002915451895044,0.19970845481049562,0.51183970856102,0.48816029143898,0.5109489051094891,0.48905109489051096,0.5029239766081871,0.49707602339181284,33,55,0.8069216757741348,0.1384335154826958,0.4649428129196167,0.7591241002082825,0.7692307829856873,0.7591241002082825,1.5283548831939697,0.7534246444702148,0.7857142686843872,0.8531982898712158,0.556776225566864,0.7426900863647461,0.760869562625885,0.7426900863647461,1.5035595893859863,0.7142857313156128,0.8139534592628479,0.7782489061355591,512,32,6.051486639727546e-05,sum,3,True,True,0.11589639827158782,disabled cell,,
-1,random,549,137,0.8002915451895044,0.19970845481049562,0.51183970856102,0.48816029143898,0.5109489051094891,0.48905109489051096,0.5029239766081871,0.49707602339181284,33,55,0.8069216757741348,0.1384335154826958,0.45565053820610046,0.8102189898490906,0.8219178318977356,0.8102189898490906,1.6321368217468262,0.7894737124443054,0.8571428656578064,0.845522403717041,0.5362141132354736,0.7543859481811523,0.7878788113594055,0.7543859481811523,1.542264699935913,0.6964285969734192,0.9069767594337463,0.8065662980079651,512,32,6.051486639727546e-05,sum,3,True,True,0.11589639827158782,disabled smiles,,
-1,random,549,137,0.8002915451895044,0.19970845481049562,0.51183970856102,0.48816029143898,0.5109489051094891,0.48905109489051096,0.5029239766081871,0.49707602339181284,33,55,0.8069216757741348,0.1384335154826958,0.45229440927505493,0.8248175382614136,0.8333333134651184,0.8248175382614136,1.6581509113311768,0.8108108043670654,0.8571428656578064,0.8734540939331055,0.5768059492111206,0.7368420958518982,0.7668393850326538,0.7368420958518982,1.5036814212799072,0.6915887594223022,0.8604651093482971,0.8110806941986084,512,32,6.051486639727546e-05,sum,3,True,True,0.11589639827158782,disabled e3 cell,,
-1,random,549,137,0.8002915451895044,0.19970845481049562,0.51183970856102,0.48816029143898,0.5109489051094891,0.48905109489051096,0.5029239766081871,0.49707602339181284,33,55,0.8069216757741348,0.1384335154826958,0.5999972224235535,0.7080292105674744,0.6721311211585999,0.7080292105674744,1.3801603317260742,0.7884615659713745,0.5857142806053162,0.8235607743263245,0.7161943316459656,0.6432748436927795,0.6163522005081177,0.6432748436927795,1.259627103805542,0.6712328791618347,0.569767415523529,0.7282489538192749,512,32,6.051486639727546e-05,sum,3,True,True,0.11589639827158782,disabled poi e3 cell,,
-2,random,549,137,0.8002915451895044,0.19970845481049562,0.51183970856102,0.48816029143898,0.5109489051094891,0.48905109489051096,0.5029239766081871,0.49707602339181284,42,46,0.9326047358834244,0.14207650273224043,0.46932706236839294,0.8248175382614136,0.837837815284729,0.8248175382614136,1.6626553535461426,0.7948718070983887,0.8857142925262451,0.8682302832603455,0.6202396750450134,0.7485380172729492,0.7724867463111877,0.7485380172729492,1.5210247039794922,0.708737850189209,0.8488371968269348,0.8094391226768494,768,32,2.459285682720553e-05,concat,9,False,True,0.1317889357914079,,,
-2,random,549,137,0.8002915451895044,0.19970845481049562,0.51183970856102,0.48816029143898,0.5109489051094891,0.48905109489051096,0.5029239766081871,0.49707602339181284,42,46,0.9326047358834244,0.14207650273224043,0.5287492871284485,0.7737226486206055,0.7769784331321716,0.7737226486206055,1.5507011413574219,0.782608687877655,0.7714285850524902,0.8283582925796509,0.6048352718353271,0.7309941649436951,0.7526881694793701,0.7309941649436951,1.48368239402771,0.699999988079071,0.8139534592628479,0.7770177721977234,768,32,2.459285682720553e-05,concat,9,False,True,0.1317889357914079,disabled poi,,
-2,random,549,137,0.8002915451895044,0.19970845481049562,0.51183970856102,0.48816029143898,0.5109489051094891,0.48905109489051096,0.5029239766081871,0.49707602339181284,42,46,0.9326047358834244,0.14207650273224043,0.5624351501464844,0.7226277589797974,0.7564102411270142,0.7226277589797974,1.4790380001068115,0.6860465407371521,0.8428571224212646,0.812260091304779,0.6599509716033936,0.7134503126144409,0.7487179636955261,0.7134503126144409,1.4621682167053223,0.6697247624397278,0.8488371968269348,0.745280385017395,768,32,2.459285682720553e-05,concat,9,False,True,0.1317889357914079,disabled cell,,
-2,random,549,137,0.8002915451895044,0.19970845481049562,0.51183970856102,0.48816029143898,0.5109489051094891,0.48905109489051096,0.5029239766081871,0.49707602339181284,42,46,0.9326047358834244,0.14207650273224043,0.48794254660606384,0.7883211970329285,0.8053691387176514,0.7883211970329285,1.5936903953552246,0.7594936490058899,0.8571428656578064,0.8377398252487183,0.5523909330368042,0.719298243522644,0.7473683953285217,0.719298243522644,1.4666666984558105,0.682692289352417,0.8255813717842102,0.7943912744522095,768,32,2.459285682720553e-05,concat,9,False,True,0.1317889357914079,disabled smiles,,
-2,random,549,137,0.8002915451895044,0.19970845481049562,0.51183970856102,0.48816029143898,0.5109489051094891,0.48905109489051096,0.5029239766081871,0.49707602339181284,42,46,0.9326047358834244,0.14207650273224043,0.6044436693191528,0.6934306621551514,0.7341772317886353,0.6934306621551514,1.4276078939437866,0.6590909361839294,0.8285714387893677,0.7747334837913513,0.6223353147506714,0.7017543911933899,0.7437185645103455,0.7017543911933899,1.4454729557037354,0.6548672318458557,0.8604651093482971,0.745280385017395,768,32,2.459285682720553e-05,concat,9,False,True,0.1317889357914079,disabled e3 cell,,
-2,random,549,137,0.8002915451895044,0.19970845481049562,0.51183970856102,0.48816029143898,0.5109489051094891,0.48905109489051096,0.5029239766081871,0.49707602339181284,42,46,0.9326047358834244,0.14207650273224043,0.6407524347305298,0.6496350169181824,0.7142857313156128,0.6496350169181824,1.3639206886291504,0.6122449040412903,0.8571428656578064,0.7369935512542725,0.7211207151412964,0.5964912176132202,0.6729857921600342,0.5964912176132202,1.2694770097732544,0.5680000185966492,0.8255813717842102,0.6617646813392639,768,32,2.459285682720553e-05,concat,9,False,True,0.1317889357914079,disabled poi e3 cell,,
-3,random,549,137,0.8002915451895044,0.19970845481049562,0.51183970856102,0.48816029143898,0.5109489051094891,0.48905109489051096,0.5029239766081871,0.49707602339181284,39,45,0.8597449908925319,0.11839708561020036,0.4192594289779663,0.8321167826652527,0.8413792848587036,0.8321167826652527,1.6734960079193115,0.8133333325386047,0.8714285492897034,0.9000000357627869,0.5894311666488647,0.7309941649436951,0.7604166865348816,0.7309941649436951,1.4914108514785767,0.6886792182922363,0.8488371968269348,0.842818021774292,768,32,1.463290121247812e-05,concat,10,True,True,0.23059748031767513,,,
-3,random,549,137,0.8002915451895044,0.19970845481049562,0.51183970856102,0.48816029143898,0.5109489051094891,0.48905109489051096,0.5029239766081871,0.49707602339181284,39,45,0.8597449908925319,0.11839708561020036,0.5110429525375366,0.7372262477874756,0.7272727489471436,0.7372262477874756,1.4644989967346191,0.774193525314331,0.6857143044471741,0.8420042991638184,0.5720796585083008,0.7251461744308472,0.7403314709663391,0.7251461744308472,1.465477705001831,0.7052631378173828,0.7790697813034058,0.7952120304107666,768,32,1.463290121247812e-05,concat,10,True,True,0.23059748031767513,disabled poi,,
-3,random,549,137,0.8002915451895044,0.19970845481049562,0.51183970856102,0.48816029143898,0.5109489051094891,0.48905109489051096,0.5029239766081871,0.49707602339181284,39,45,0.8597449908925319,0.11839708561020036,0.513623833656311,0.7299270033836365,0.7672955989837646,0.7299270033836365,1.497222661972046,0.6853932738304138,0.8714285492897034,0.8157782554626465,0.5787199139595032,0.7485380172729492,0.7881773114204407,0.7485380172729492,1.5367152690887451,0.6837607026100159,0.930232584476471,0.7674418687820435,768,32,1.463290121247812e-05,concat,10,True,True,0.23059748031767513,disabled cell,,
-3,random,549,137,0.8002915451895044,0.19970845481049562,0.51183970856102,0.48816029143898,0.5109489051094891,0.48905109489051096,0.5029239766081871,0.49707602339181284,39,45,0.8597449908925319,0.11839708561020036,0.4557490050792694,0.8029196858406067,0.8235294222831726,0.8029196858406067,1.6264491081237793,0.759036123752594,0.8999999761581421,0.8594882488250732,0.5386081337928772,0.7309941649436951,0.7676767706871033,0.7309941649436951,1.4986709356307983,0.6785714030265808,0.8837209343910217,0.8136799335479736,768,32,1.463290121247812e-05,concat,10,True,True,0.23059748031767513,disabled smiles,,
-3,random,549,137,0.8002915451895044,0.19970845481049562,0.51183970856102,0.48816029143898,0.5109489051094891,0.48905109489051096,0.5029239766081871,0.49707602339181284,39,45,0.8597449908925319,0.11839708561020036,0.5177730321884155,0.7080292105674744,0.7402597665786743,0.7080292105674744,1.448288917541504,0.6785714030265808,0.8142856955528259,0.8021321892738342,0.5562319159507751,0.7368420958518982,0.7738693356513977,0.7368420958518982,1.510711431503296,0.6814159154891968,0.895348846912384,0.774692177772522,768,32,1.463290121247812e-05,concat,10,True,True,0.23059748031767513,disabled e3 cell,,
-3,random,549,137,0.8002915451895044,0.19970845481049562,0.51183970856102,0.48816029143898,0.5109489051094891,0.48905109489051096,0.5029239766081871,0.49707602339181284,39,45,0.8597449908925319,0.11839708561020036,0.5371967554092407,0.7956204414367676,0.800000011920929,0.7956204414367676,1.5956203937530518,0.800000011920929,0.800000011920929,0.8351812362670898,0.825558066368103,0.6842105388641357,0.70652174949646,0.6842105388641357,1.3907322883605957,0.6632652878761292,0.7558139562606812,0.7183994054794312,768,32,1.463290121247812e-05,concat,10,True,True,0.23059748031767513,disabled poi e3 cell,,
-4,random,549,137,0.8002915451895044,0.19970845481049562,0.51183970856102,0.48816029143898,0.5109489051094891,0.48905109489051096,0.5029239766081871,0.49707602339181284,39,47,0.9052823315118397,0.12386156648451731,0.40784260630607605,0.8540145754814148,0.8550724387168884,0.8540145754814148,1.7090870141983032,0.8676470518112183,0.8428571224212646,0.9004263877868652,0.6036471724510193,0.707602322101593,0.7340425252914429,0.707602322101593,1.4416449069976807,0.6764705777168274,0.8023256063461304,0.8147742748260498,512,16,1.2773965426131252e-05,concat,4,False,True,0.21738097435285753,,,
-4,random,549,137,0.8002915451895044,0.19970845481049562,0.51183970856102,0.48816029143898,0.5109489051094891,0.48905109489051096,0.5029239766081871,0.49707602339181284,39,47,0.9052823315118397,0.12386156648451731,0.556912362575531,0.7956204414367676,0.800000011920929,0.7956204414367676,1.5956203937530518,0.800000011920929,0.800000011920929,0.816417932510376,0.6419339776039124,0.7485380172729492,0.7724867463111877,0.7485380172729492,1.5210247039794922,0.708737850189209,0.8488371968269348,0.7785225510597229,512,16,1.2773965426131252e-05,concat,4,False,True,0.21738097435285753,disabled poi,,
-4,random,549,137,0.8002915451895044,0.19970845481049562,0.51183970856102,0.48816029143898,0.5109489051094891,0.48905109489051096,0.5029239766081871,0.49707602339181284,39,47,0.9052823315118397,0.12386156648451731,0.5248750448226929,0.7591241002082825,0.7625899314880371,0.7591241002082825,1.5217139720916748,0.7681159377098083,0.7571428418159485,0.830703616142273,0.5925144553184509,0.6959064602851868,0.7045454382896423,0.6959064602851868,1.400451898574829,0.6888889074325562,0.7209302186965942,0.7615594863891602,512,16,1.2773965426131252e-05,concat,4,False,True,0.21738097435285753,disabled cell,,
-4,random,549,137,0.8002915451895044,0.19970845481049562,0.51183970856102,0.48816029143898,0.5109489051094891,0.48905109489051096,0.5029239766081871,0.49707602339181284,39,47,0.9052823315118397,0.12386156648451731,0.4408401846885681,0.8394160866737366,0.8472222089767456,0.8394160866737366,1.686638355255127,0.8243243098258972,0.8714285492897034,0.8762260675430298,0.5840861201286316,0.7134503126144409,0.7379679083824158,0.7134503126144409,1.451418161392212,0.6831682920455933,0.8023256063461304,0.7797537446022034,512,16,1.2773965426131252e-05,concat,4,False,True,0.21738097435285753,disabled smiles,,
-4,random,549,137,0.8002915451895044,0.19970845481049562,0.51183970856102,0.48816029143898,0.5109489051094891,0.48905109489051096,0.5029239766081871,0.49707602339181284,39,47,0.9052823315118397,0.12386156648451731,0.5410779118537903,0.7810218930244446,0.779411792755127,0.7810218930244446,1.5604336261749268,0.8030303120613098,0.7571428418159485,0.8217484354972839,0.5746390223503113,0.6959064602851868,0.7111111283302307,0.6959064602851868,1.4070175886154175,0.6808510422706604,0.7441860437393188,0.763748288154602,512,16,1.2773965426131252e-05,concat,4,False,True,0.21738097435285753,disabled e3 cell,,
-4,random,549,137,0.8002915451895044,0.19970845481049562,0.51183970856102,0.48816029143898,0.5109489051094891,0.48905109489051096,0.5029239766081871,0.49707602339181284,39,47,0.9052823315118397,0.12386156648451731,0.664604663848877,0.6496350169181824,0.625,0.6496350169181824,1.2746350765228271,0.6896551847457886,0.5714285969734192,0.7087420225143433,0.6737955808639526,0.6198830604553223,0.6153846383094788,0.6198830604553223,1.2352676391601562,0.6265060305595398,0.604651153087616,0.6893980503082275,512,16,1.2773965426131252e-05,concat,4,False,True,0.21738097435285753,disabled poi e3 cell,,
-0,e3_ligase,644,162,0.7990074441687345,0.20099255583126552,0.531055900621118,0.468944099378882,0.5308641975308642,0.4691358024691358,0.17647058823529413,0.8235294117647058,38,71,0.8773291925465838,0.16925465838509315,0.41639959812164307,0.7962962985038757,0.8156424760818481,0.7962962985038757,1.611938714981079,0.7849462628364563,0.8488371968269348,0.8850979208946228,0.581131637096405,0.7647058963775635,0.1428571492433548,0.7647058963775635,0.9075630307197571,0.20000000298023224,0.1111111119389534,0.4947090148925781,512,16,1.2628563960558583e-05,concat,4,True,True,0.24842305976778845,,2.0,2.0
-0,e3_ligase,644,162,0.7990074441687345,0.20099255583126552,0.531055900621118,0.468944099378882,0.5308641975308642,0.4691358024691358,0.17647058823529413,0.8235294117647058,38,71,0.8773291925465838,0.16925465838509315,0.6355923414230347,0.7160493731498718,0.6760563254356384,0.7160493731498718,1.3921056985855103,0.8571428656578064,0.5581395626068115,0.7958230972290039,0.7353084683418274,0.6078431606292725,0.2857142984867096,0.6078431606292725,0.8935574293136597,0.21052631735801697,0.4444444477558136,0.6111111640930176,512,16,1.2628563960558583e-05,concat,4,True,True,0.24842305976778845,disabled poi,2.0,2.0
-0,e3_ligase,644,162,0.7990074441687345,0.20099255583126552,0.531055900621118,0.468944099378882,0.5308641975308642,0.4691358024691358,0.17647058823529413,0.8235294117647058,38,71,0.8773291925465838,0.16925465838509315,0.5179581046104431,0.7654321193695068,0.7956989407539368,0.7654321193695068,1.5611310005187988,0.7400000095367432,0.8604651093482971,0.8463891744613647,1.6474303007125854,0.27450981736183167,0.30188679695129395,0.27450981736183167,0.5763965845108032,0.1818181872367859,0.8888888955116272,0.6666666865348816,512,16,1.2628563960558583e-05,concat,4,True,True,0.24842305976778845,disabled cell,2.0,2.0
-0,e3_ligase,644,162,0.7990074441687345,0.20099255583126552,0.531055900621118,0.468944099378882,0.5308641975308642,0.4691358024691358,0.17647058823529413,0.8235294117647058,38,71,0.8773291925465838,0.16925465838509315,0.47495943307876587,0.7407407164573669,0.77173912525177,0.7407407164573669,1.5124797821044922,0.7244898080825806,0.8255813717842102,0.8392748236656189,0.7730909585952759,0.5882353186607361,0.4000000059604645,0.5882353186607361,0.988235354423523,0.26923078298568726,0.7777777910232544,0.7248677015304565,512,16,1.2628563960558583e-05,concat,4,True,True,0.24842305976778845,disabled smiles,2.0,2.0
-0,e3_ligase,644,162,0.7990074441687345,0.20099255583126552,0.531055900621118,0.468944099378882,0.5308641975308642,0.4691358024691358,0.17647058823529413,0.8235294117647058,38,71,0.8773291925465838,0.16925465838509315,0.5195542573928833,0.7592592835426331,0.7936508059501648,0.7592592835426331,1.5529100894927979,0.7281553149223328,0.8720930218696594,0.8350672721862793,1.4177920818328857,0.2549019753932953,0.26923078298568726,0.2549019753932953,0.5241327285766602,0.1627907007932663,0.7777777910232544,0.6878306865692139,512,16,1.2628563960558583e-05,concat,4,True,True,0.24842305976778845,disabled e3 cell,2.0,2.0
-0,e3_ligase,644,162,0.7990074441687345,0.20099255583126552,0.531055900621118,0.468944099378882,0.5308641975308642,0.4691358024691358,0.17647058823529413,0.8235294117647058,38,71,0.8773291925465838,0.16925465838509315,0.6018378138542175,0.7592592835426331,0.7745664715766907,0.7592592835426331,1.5338257551193237,0.7701149582862854,0.7790697813034058,0.8080630302429199,1.2631828784942627,0.45098039507865906,0.3333333432674408,0.45098039507865906,0.7843137383460999,0.21212121844291687,0.7777777910232544,0.5873016119003296,512,16,1.2628563960558583e-05,concat,4,True,True,0.24842305976778845,disabled poi e3 cell,2.0,2.0
-1,e3_ligase,645,161,0.8002481389578163,0.19975186104218362,0.5302325581395348,0.4697674418604651,0.5341614906832298,0.4658385093167702,0.17647058823529413,0.8235294117647058,40,78,0.9333333333333333,0.2,0.3744475841522217,0.8198757767677307,0.8379888534545898,0.8198757767677307,1.6578645706176758,0.8064516186714172,0.8720930218696594,0.9096124172210693,1.2971876859664917,0.686274528503418,0.4285714328289032,0.686274528503418,1.1148459911346436,0.31578946113586426,0.6666666865348816,0.6600528955459595,512,32,1.0703113748644837e-05,beginning,7,False,True,0.1356055599948816,,2.0,2.0
-1,e3_ligase,645,161,0.8002481389578163,0.19975186104218362,0.5302325581395348,0.4697674418604651,0.5341614906832298,0.4658385093167702,0.17647058823529413,0.8235294117647058,40,78,0.9333333333333333,0.2,0.47557637095451355,0.782608687877655,0.7976878881454468,0.782608687877655,1.580296516418457,0.7931034564971924,0.8023256063461304,0.8533333539962769,1.037234902381897,0.47058823704719543,0.2702702581882477,0.47058823704719543,0.7408584952354431,0.1785714328289032,0.5555555820465088,0.600529134273529,512,32,1.0703113748644837e-05,beginning,7,False,True,0.1356055599948816,disabled poi,2.0,2.0
-1,e3_ligase,645,161,0.8002481389578163,0.19975186104218362,0.5302325581395348,0.4697674418604651,0.5341614906832298,0.4658385093167702,0.17647058823529413,0.8235294117647058,40,78,0.9333333333333333,0.2,0.47627532482147217,0.7515528202056885,0.7530864477157593,0.7515528202056885,1.5046392679214478,0.8026315569877625,0.7093023061752319,0.8497674465179443,0.9869968891143799,0.3529411852359772,0.2978723347187042,0.3529411852359772,0.6508135199546814,0.18421052396297455,0.7777777910232544,0.6957671642303467,512,32,1.0703113748644837e-05,beginning,7,False,True,0.1356055599948816,disabled cell,2.0,2.0
-1,e3_ligase,645,161,0.8002481389578163,0.19975186104218362,0.5302325581395348,0.4697674418604651,0.5341614906832298,0.4658385093167702,0.17647058823529413,0.8235294117647058,40,78,0.9333333333333333,0.2,0.46647119522094727,0.7639751434326172,0.773809552192688,0.7639751434326172,1.5377846956253052,0.792682945728302,0.7558139562606812,0.8612402677536011,0.8043797016143799,0.6274510025978088,0.4571428596973419,0.6274510025978088,1.0845938920974731,0.3076923191547394,0.8888888955116272,0.7116401791572571,512,32,1.0703113748644837e-05,beginning,7,False,True,0.1356055599948816,disabled smiles,2.0,2.0
-1,e3_ligase,645,161,0.8002481389578163,0.19975186104218362,0.5302325581395348,0.4697674418604651,0.5341614906832298,0.4658385093167702,0.17647058823529413,0.8235294117647058,40,78,0.9333333333333333,0.2,0.4874749481678009,0.7453415989875793,0.7388535141944885,0.7453415989875793,1.4841951131820679,0.8169013857841492,0.6744186282157898,0.8556588888168335,1.036832332611084,0.3921568691730499,0.31111112236976624,0.3921568691730499,0.7032679915428162,0.1944444477558136,0.7777777910232544,0.7380952835083008,512,32,1.0703113748644837e-05,beginning,7,False,True,0.1356055599948816,disabled e3 cell,2.0,2.0
-1,e3_ligase,645,161,0.8002481389578163,0.19975186104218362,0.5302325581395348,0.4697674418604651,0.5341614906832298,0.4658385093167702,0.17647058823529413,0.8235294117647058,40,78,0.9333333333333333,0.2,0.558716893196106,0.7763975262641907,0.8144329786300659,0.7763975262641907,1.5908305644989014,0.7314814925193787,0.9186046719551086,0.8069767355918884,1.366631269454956,0.37254902720451355,0.3333333432674408,0.37254902720451355,0.7058823704719543,0.20512820780277252,0.8888888955116272,0.6402116417884827,512,32,1.0703113748644837e-05,beginning,7,False,True,0.1356055599948816,disabled poi e3 cell,2.0,2.0
-2,e3_ligase,645,161,0.8002481389578163,0.19975186104218362,0.5302325581395348,0.4697674418604651,0.5341614906832298,0.4658385093167702,0.17647058823529413,0.8235294117647058,37,69,0.9007751937984496,0.19069767441860466,0.430800199508667,0.8198757767677307,0.8323699235916138,0.8198757767677307,1.6522457599639893,0.8275862336158752,0.8372092843055725,0.8835659027099609,7.250083923339844,0.6470588445663452,0.3076923191547394,0.6470588445663452,0.9547511339187622,0.23529411852359772,0.4444444477558136,0.691798985004425,512,8,1.3143439595665665e-05,sum,9,True,True,0.3902957927280136,,2.0,2.0
-2,e3_ligase,645,161,0.8002481389578163,0.19975186104218362,0.5302325581395348,0.4697674418604651,0.5341614906832298,0.4658385093167702,0.17647058823529413,0.8235294117647058,37,69,0.9007751937984496,0.19069767441860466,0.4753510355949402,0.7515528202056885,0.7802197933197021,0.7515528202056885,1.5317726135253906,0.7395833134651184,0.8255813717842102,0.854728639125824,1.2565664052963257,0.3921568691730499,0.27906978130340576,0.3921568691730499,0.6712266206741333,0.1764705926179886,0.6666666865348816,0.5714285969734192,512,8,1.3143439595665665e-05,sum,9,True,True,0.3902957927280136,disabled poi,2.0,2.0
-2,e3_ligase,645,161,0.8002481389578163,0.19975186104218362,0.5302325581395348,0.4697674418604651,0.5341614906832298,0.4658385093167702,0.17647058823529413,0.8235294117647058,37,69,0.9007751937984496,0.19069767441860466,0.5391825437545776,0.7453415989875793,0.7421383857727051,0.7453415989875793,1.4874799251556396,0.8082191944122314,0.6860465407371521,0.8372092843055725,0.915449321269989,0.4117647111415863,0.3181818127632141,0.4117647111415863,0.729946494102478,0.20000000298023224,0.7777777910232544,0.7248677611351013,512,8,1.3143439595665665e-05,sum,9,True,True,0.3902957927280136,disabled cell,2.0,2.0
-2,e3_ligase,645,161,0.8002481389578163,0.19975186104218362,0.5302325581395348,0.4697674418604651,0.5341614906832298,0.4658385093167702,0.17647058823529413,0.8235294117647058,37,69,0.9007751937984496,0.19069767441860466,0.44468948245048523,0.7888198494911194,0.800000011920929,0.7888198494911194,1.5888198614120483,0.8095238208770752,0.7906976938247681,0.8616278767585754,0.7355390191078186,0.6274510025978088,0.4864864945411682,0.6274510025978088,1.113937497138977,0.3214285671710968,1.0,0.7777777910232544,512,8,1.3143439595665665e-05,sum,9,True,True,0.3902957927280136,disabled smiles,2.0,2.0
-2,e3_ligase,645,161,0.8002481389578163,0.19975186104218362,0.5302325581395348,0.4697674418604651,0.5341614906832298,0.4658385093167702,0.17647058823529413,0.8235294117647058,37,69,0.9007751937984496,0.19069767441860466,0.5659952759742737,0.7453415989875793,0.7388535141944885,0.7453415989875793,1.4841951131820679,0.8169013857841492,0.6744186282157898,0.8494573831558228,0.8531121611595154,0.4901960790157318,0.3499999940395355,0.4901960790157318,0.8401960730552673,0.22580644488334656,0.7777777910232544,0.703703761100769,512,8,1.3143439595665665e-05,sum,9,True,True,0.3902957927280136,disabled e3 cell,2.0,2.0
-2,e3_ligase,645,161,0.8002481389578163,0.19975186104218362,0.5302325581395348,0.4697674418604651,0.5341614906832298,0.4658385093167702,0.17647058823529413,0.8235294117647058,37,69,0.9007751937984496,0.19069767441860466,0.6035085320472717,0.6894409656524658,0.6666666865348816,0.6894409656524658,1.3561077117919922,0.78125,0.5813953280448914,0.7826356291770935,0.8305799961090088,0.529411792755127,0.3684210479259491,0.529411792755127,0.8978328704833984,0.24137930572032928,0.7777777910232544,0.5608465671539307,512,8,1.3143439595665665e-05,sum,9,True,True,0.3902957927280136,disabled poi e3 cell,2.0,2.0
-3,e3_ligase,645,161,0.8002481389578163,0.19975186104218362,0.5317829457364341,0.4682170542635659,0.5279503105590062,0.4720496894409938,0.17647058823529413,0.8235294117647058,42,69,0.9209302325581395,0.16589147286821707,0.5343508720397949,0.7639751434326172,0.7888888716697693,0.7639751434326172,1.5528640747070312,0.7473683953285217,0.8352941274642944,0.8526316285133362,6.722982883453369,0.8235294222831726,0.0,0.8235294222831726,0.8235294222831726,0.0,0.0,0.682539701461792,768,8,1.5232219770193593e-05,sum,12,True,True,0.10620062819335878,,2.0,2.0
-3,e3_ligase,645,161,0.8002481389578163,0.19975186104218362,0.5317829457364341,0.4682170542635659,0.5279503105590062,0.4720496894409938,0.17647058823529413,0.8235294117647058,42,69,0.9209302325581395,0.16589147286821707,0.5296038389205933,0.7267080545425415,0.7528089880943298,0.7267080545425415,1.4795169830322266,0.7204301357269287,0.7882353067398071,0.8142415285110474,1.0509576797485352,0.47058823704719543,0.3414634168148041,0.47058823704719543,0.8120516538619995,0.21875,0.7777777910232544,0.6587302088737488,768,8,1.5232219770193593e-05,sum,12,True,True,0.10620062819335878,disabled poi,2.0,2.0
-3,e3_ligase,645,161,0.8002481389578163,0.19975186104218362,0.5317829457364341,0.4682170542635659,0.5279503105590062,0.4720496894409938,0.17647058823529413,0.8235294117647058,42,69,0.9209302325581395,0.16589147286821707,0.5920593738555908,0.6770186424255371,0.7319587469100952,0.6770186424255371,1.4089773893356323,0.6513761281967163,0.8352941274642944,0.7971361875534058,1.318601131439209,0.3137255012989044,0.3396226465702057,0.3137255012989044,0.6533481478691101,0.20454545319080353,1.0,0.8042328357696533,768,8,1.5232219770193593e-05,sum,12,True,True,0.10620062819335878,disabled cell,2.0,2.0
-3,e3_ligase,645,161,0.8002481389578163,0.19975186104218362,0.5317829457364341,0.4682170542635659,0.5279503105590062,0.4720496894409938,0.17647058823529413,0.8235294117647058,42,69,0.9209302325581395,0.16589147286821707,0.5825760364532471,0.7329192757606506,0.7772020697593689,0.7329192757606506,1.5101213455200195,0.6944444179534912,0.8823529481887817,0.7692724466323853,0.8863464593887329,0.4901960790157318,0.40909090638160706,0.4901960790157318,0.8992869853973389,0.2571428716182709,1.0,0.7566137313842773,768,8,1.5232219770193593e-05,sum,12,True,True,0.10620062819335878,disabled smiles,2.0,2.0
-3,e3_ligase,645,161,0.8002481389578163,0.19975186104218362,0.5317829457364341,0.4682170542635659,0.5279503105590062,0.4720496894409938,0.17647058823529413,0.8235294117647058,42,69,0.9209302325581395,0.16589147286821707,0.5949643850326538,0.6894409656524658,0.72826087474823,0.6894409656524658,1.4177018404006958,0.6767676472663879,0.7882353067398071,0.7763931751251221,0.967729389667511,0.45098039507865906,0.3913043439388275,0.45098039507865906,0.8422847390174866,0.2432432472705841,1.0,0.8121693730354309,768,8,1.5232219770193593e-05,sum,12,True,True,0.10620062819335878,disabled e3 cell,2.0,2.0
-3,e3_ligase,645,161,0.8002481389578163,0.19975186104218362,0.5317829457364341,0.4682170542635659,0.5279503105590062,0.4720496894409938,0.17647058823529413,0.8235294117647058,42,69,0.9209302325581395,0.16589147286821707,0.565538227558136,0.7204968929290771,0.7513812184333801,0.7204968929290771,1.4718780517578125,0.7083333134651184,0.800000011920929,0.7880030870437622,0.965183436870575,0.47058823704719543,0.3720930218696594,0.47058823704719543,0.8426812887191772,0.23529411852359772,0.8888888955116272,0.6772487163543701,768,8,1.5232219770193593e-05,sum,12,True,True,0.10620062819335878,disabled poi e3 cell,2.0,2.0
-4,e3_ligase,645,161,0.8002481389578163,0.19975186104218362,0.5317829457364341,0.4682170542635659,0.5279503105590062,0.4720496894409938,0.17647058823529413,0.8235294117647058,41,80,0.9193798449612403,0.20310077519379846,0.47459354996681213,0.8571428656578064,0.8639053106307983,0.8571428656578064,1.72104811668396,0.8690476417541504,0.8588235378265381,0.9117647409439087,9.967009544372559,0.8235294222831726,0.0,0.8235294222831726,0.8235294222831726,0.0,0.0,0.7169312238693237,768,16,5.190302438307009e-05,beginning,5,True,True,0.14832570639339393,,2.0,2.0
-4,e3_ligase,645,161,0.8002481389578163,0.19975186104218362,0.5317829457364341,0.4682170542635659,0.5279503105590062,0.4720496894409938,0.17647058823529413,0.8235294117647058,41,80,0.9193798449612403,0.20310077519379846,0.4858522117137909,0.7950310707092285,0.8092485666275024,0.7950310707092285,1.604279637336731,0.7954545617103577,0.8235294222831726,0.8572754859924316,1.394615888595581,0.4117647111415863,0.3181818127632141,0.4117647111415863,0.729946494102478,0.20000000298023224,0.7777777910232544,0.6375661492347717,768,16,5.190302438307009e-05,beginning,5,True,True,0.14832570639339393,disabled poi,2.0,2.0
-4,e3_ligase,645,161,0.8002481389578163,0.19975186104218362,0.5317829457364341,0.4682170542635659,0.5279503105590062,0.4720496894409938,0.17647058823529413,0.8235294117647058,41,80,0.9193798449612403,0.20310077519379846,0.5362387895584106,0.7453415989875793,0.7573964595794678,0.7453415989875793,1.5027379989624023,0.761904776096344,0.7529411911964417,0.8351393342018127,1.1501773595809937,0.47058823704719543,0.3720930218696594,0.47058823704719543,0.8426812887191772,0.23529411852359772,0.8888888955116272,0.7645502686500549,768,16,5.190302438307009e-05,beginning,5,True,True,0.14832570639339393,disabled cell,2.0,2.0
-4,e3_ligase,645,161,0.8002481389578163,0.19975186104218362,0.5317829457364341,0.4682170542635659,0.5279503105590062,0.4720496894409938,0.17647058823529413,0.8235294117647058,41,80,0.9193798449612403,0.20310077519379846,0.4876108169555664,0.8136646151542664,0.8369565010070801,0.8136646151542664,1.6506211757659912,0.7777777910232544,0.9058823585510254,0.8368421196937561,0.8958711624145508,0.6274510025978088,0.4864864945411682,0.6274510025978088,1.113937497138977,0.3214285671710968,1.0,0.7248677015304565,768,16,5.190302438307009e-05,beginning,5,True,True,0.14832570639339393,disabled smiles,2.0,2.0
-4,e3_ligase,645,161,0.8002481389578163,0.19975186104218362,0.5317829457364341,0.4682170542635659,0.5279503105590062,0.4720496894409938,0.17647058823529413,0.8235294117647058,41,80,0.9193798449612403,0.20310077519379846,0.5024911165237427,0.7701863646507263,0.7810651063919067,0.7701863646507263,1.5512514114379883,0.7857142686843872,0.7764706015586853,0.8554179668426514,1.334896445274353,0.3529411852359772,0.3265306055545807,0.3529411852359772,0.6794717907905579,0.20000000298023224,0.8888888955116272,0.7354497909545898,768,16,5.190302438307009e-05,beginning,5,True,True,0.14832570639339393,disabled e3 cell,2.0,2.0
-4,e3_ligase,645,161,0.8002481389578163,0.19975186104218362,0.5317829457364341,0.4682170542635659,0.5279503105590062,0.4720496894409938,0.17647058823529413,0.8235294117647058,41,80,0.9193798449612403,0.20310077519379846,0.5872906446456909,0.7204968929290771,0.748603343963623,0.7204968929290771,1.4691002368927002,0.7127659320831299,0.7882353067398071,0.7834365367889404,0.9861259460449219,0.47058823704719543,0.3414634168148041,0.47058823704719543,0.8120516538619995,0.21875,0.7777777910232544,0.6111111640930176,768,16,5.190302438307009e-05,beginning,5,True,True,0.14832570639339393,disabled poi e3 cell,2.0,2.0
-0,tanimoto,556,131,0.8093158660844251,0.19068413391557495,0.5323741007194245,0.4676258992805755,0.5038167938931297,0.4961832061068702,0.4411764705882353,0.5588235294117647,36,0,0.8938848920863309,0.0,0.4507499635219574,0.7938931584358215,0.7906976938247681,0.7938931584358215,1.5845909118652344,0.8095238208770752,0.7727272510528564,0.8913753032684326,0.7332725524902344,0.7117646932601929,0.6201550364494324,0.7117646932601929,1.3319196701049805,0.7407407164573669,0.5333333611488342,0.7803508639335632,256,32,2.510918734835016e-05,beginning,10,True,True,0.28706468218363806,,23.0,6.0
-0,tanimoto,556,131,0.8093158660844251,0.19068413391557495,0.5323741007194245,0.4676258992805755,0.5038167938931297,0.4961832061068702,0.4411764705882353,0.5588235294117647,36,0,0.8938848920863309,0.0,0.5854721069335938,0.6870229244232178,0.671999990940094,0.6870229244232178,1.359022855758667,0.7118644118309021,0.6363636255264282,0.7945221662521362,0.6270209550857544,0.6705882549285889,0.6056337952613831,0.6705882549285889,1.2762219905853271,0.641791045665741,0.5733333230018616,0.7409824728965759,256,32,2.510918734835016e-05,beginning,10,True,True,0.28706468218363806,disabled poi,23.0,6.0
-0,tanimoto,556,131,0.8093158660844251,0.19068413391557495,0.5323741007194245,0.4676258992805755,0.5038167938931297,0.4961832061068702,0.4411764705882353,0.5588235294117647,36,0,0.8938848920863309,0.0,0.5788887143135071,0.6412213444709778,0.605042040348053,0.6412213444709778,1.2462633848190308,0.6792452931404114,0.5454545617103577,0.7653846740722656,0.686752438545227,0.6764705777168274,0.6043165326118469,0.6764705777168274,1.2807871103286743,0.65625,0.5600000023841858,0.684210479259491,256,32,2.510918734835016e-05,beginning,10,True,True,0.28706468218363806,disabled cell,23.0,6.0
-0,tanimoto,556,131,0.8093158660844251,0.19068413391557495,0.5323741007194245,0.4676258992805755,0.5038167938931297,0.4961832061068702,0.4411764705882353,0.5588235294117647,36,0,0.8938848920863309,0.0,0.514518141746521,0.732824444770813,0.7154471278190613,0.732824444770813,1.4482715129852295,0.7719298005104065,0.6666666865348816,0.8331001996994019,0.6408389210700989,0.7117646932601929,0.6141732335090637,0.7117646932601929,1.3259379863739014,0.75,0.5199999809265137,0.7414034605026245,256,32,2.510918734835016e-05,beginning,10,True,True,0.28706468218363806,disabled smiles,23.0,6.0
-0,tanimoto,556,131,0.8093158660844251,0.19068413391557495,0.5323741007194245,0.4676258992805755,0.5038167938931297,0.4961832061068702,0.4411764705882353,0.5588235294117647,36,0,0.8938848920863309,0.0,0.6617121696472168,0.6335877776145935,0.529411792755127,0.6335877776145935,1.1629996299743652,0.75,0.40909090638160706,0.739976704120636,0.8525384068489075,0.5882353186607361,0.4067796468734741,0.5882353186607361,0.9950149655342102,0.5581395626068115,0.3199999928474426,0.640842080116272,256,32,2.510918734835016e-05,beginning,10,True,True,0.28706468218363806,disabled e3 cell,23.0,6.0
-0,tanimoto,556,131,0.8093158660844251,0.19068413391557495,0.5323741007194245,0.4676258992805755,0.5038167938931297,0.4961832061068702,0.4411764705882353,0.5588235294117647,36,0,0.8938848920863309,0.0,0.6634699106216431,0.6412213444709778,0.591304361820221,0.6412213444709778,1.2325257062911987,0.6938775777816772,0.5151515007019043,0.7118880748748779,0.7505530118942261,0.6058823466300964,0.49624061584472656,0.6058823466300964,1.1021230220794678,0.568965494632721,0.4399999976158142,0.600631594657898,256,32,2.510918734835016e-05,beginning,10,True,True,0.28706468218363806,disabled poi e3 cell,23.0,6.0
-1,tanimoto,516,171,0.7510917030567685,0.24890829694323144,0.5193798449612403,0.4806201550387597,0.5497076023391813,0.4502923976608187,0.4411764705882353,0.5588235294117647,34,0,0.8585271317829457,0.0,0.45924118161201477,0.7953216433525085,0.8148148059844971,0.7953216433525085,1.6101365089416504,0.8105263113975525,0.8191489577293396,0.8698535561561584,0.6128262877464294,0.6529411673545837,0.5986394286155701,0.6529411673545837,1.2515805959701538,0.6111111044883728,0.5866666436195374,0.709754467010498,512,32,1.0224727453668235e-05,sum,7,False,True,0.18808733971658673,,23.0,6.0
-1,tanimoto,516,171,0.7510917030567685,0.24890829694323144,0.5193798449612403,0.4806201550387597,0.5497076023391813,0.4502923976608187,0.4411764705882353,0.5588235294117647,34,0,0.8585271317829457,0.0,0.5971808433532715,0.7134503126144409,0.7100591659545898,0.7134503126144409,1.4235094785690308,0.800000011920929,0.6382978558540344,0.7975959777832031,0.7252206802368164,0.6176470518112183,0.5390070676803589,0.6176470518112183,1.1566541194915771,0.5757575631141663,0.5066666603088379,0.666596531867981,512,32,1.0224727453668235e-05,sum,7,False,True,0.18808733971658673,disabled poi,23.0,6.0
-1,tanimoto,516,171,0.7510917030567685,0.24890829694323144,0.5193798449612403,0.4806201550387597,0.5497076023391813,0.4502923976608187,0.4411764705882353,0.5588235294117647,34,0,0.8585271317829457,0.0,0.5410615801811218,0.719298243522644,0.7446808218955994,0.719298243522644,1.4639790058135986,0.7446808218955994,0.7446808218955994,0.7951091527938843,0.7980349659919739,0.6176470518112183,0.5859872698783875,0.6176470518112183,1.203634262084961,0.5609756112098694,0.6133333444595337,0.6270877122879028,512,32,1.0224727453668235e-05,sum,7,False,True,0.18808733971658673,disabled cell,23.0,6.0
-1,tanimoto,516,171,0.7510917030567685,0.24890829694323144,0.5193798449612403,0.4806201550387597,0.5497076023391813,0.4502923976608187,0.4411764705882353,0.5588235294117647,34,0,0.8585271317829457,0.0,0.520171046257019,0.8070175647735596,0.8196721076965332,0.8070175647735596,1.6266896724700928,0.8426966071128845,0.7978723645210266,0.842566967010498,0.7717003226280212,0.6176470518112183,0.5185185074806213,0.6176470518112183,1.1361656188964844,0.5833333134651184,0.46666666865348816,0.6230175495147705,512,32,1.0224727453668235e-05,sum,7,False,True,0.18808733971658673,disabled smiles,23.0,6.0
-1,tanimoto,516,171,0.7510917030567685,0.24890829694323144,0.5193798449612403,0.4806201550387597,0.5497076023391813,0.4502923976608187,0.4411764705882353,0.5588235294117647,34,0,0.8585271317829457,0.0,0.6226475834846497,0.6374269127845764,0.6172839403152466,0.6374269127845764,1.2547109127044678,0.7352941036224365,0.5319148898124695,0.6959104537963867,0.8053180575370789,0.5823529362678528,0.5170068144798279,0.5823529362678528,1.0993597507476807,0.5277777910232544,0.5066666603088379,0.6029473543167114,512,32,1.0224727453668235e-05,sum,7,False,True,0.18808733971658673,disabled e3 cell,23.0,6.0
-1,tanimoto,516,171,0.7510917030567685,0.24890829694323144,0.5193798449612403,0.4806201550387597,0.5497076023391813,0.4502923976608187,0.4411764705882353,0.5588235294117647,34,0,0.8585271317829457,0.0,0.6889309883117676,0.5380116701126099,0.5586591958999634,0.5380116701126099,1.0966708660125732,0.5882353186607361,0.5319148898124695,0.5936722755432129,0.7807645797729492,0.5411764979362488,0.59375,0.5411764979362488,1.1349265575408936,0.4871794879436493,0.7599999904632568,0.5412631630897522,512,32,1.0224727453668235e-05,sum,7,False,True,0.18808733971658673,disabled poi e3 cell,23.0,6.0
-2,tanimoto,507,180,0.7379912663755459,0.26200873362445415,0.514792899408284,0.48520710059171596,0.5611111111111111,0.4388888888888889,0.4411764705882353,0.5588235294117647,34,0,0.854043392504931,0.0,0.6426257491111755,0.7277777791023254,0.7537688612937927,0.7277777791023254,1.4815466403961182,0.7653061151504517,0.7425742745399475,0.79301917552948,1.0303977727890015,0.5823529362678528,0.5359477400779724,0.5823529362678528,1.1183006763458252,0.5256410241127014,0.54666668176651,0.6696140766143799,256,8,2.9516677448774924e-05,concat,9,False,True,0.18534878458993082,,22.0,7.0
-2,tanimoto,507,180,0.7379912663755459,0.26200873362445415,0.514792899408284,0.48520710059171596,0.5611111111111111,0.4388888888888889,0.4411764705882353,0.5588235294117647,34,0,0.854043392504931,0.0,0.6667618155479431,0.6555555462837219,0.730434775352478,0.6555555462837219,1.3859903812408447,0.6511628031730652,0.8316831588745117,0.6949492692947388,0.7117640972137451,0.5764706134796143,0.5955055952072144,0.5764706134796143,1.1719762086868286,0.5145630836486816,0.7066666483879089,0.6468070149421692,256,8,2.9516677448774924e-05,concat,9,False,True,0.18534878458993082,disabled poi,22.0,7.0
-2,tanimoto,507,180,0.7379912663755459,0.26200873362445415,0.514792899408284,0.48520710059171596,0.5611111111111111,0.4388888888888889,0.4411764705882353,0.5588235294117647,34,0,0.854043392504931,0.0,0.6663541197776794,0.6388888955116272,0.7161571979522705,0.6388888955116272,1.355046033859253,0.640625,0.8118811845779419,0.6875548362731934,0.7330195307731628,0.5764706134796143,0.5662650465965271,0.5764706134796143,1.1427357196807861,0.5164835453033447,0.6266666650772095,0.6423859596252441,256,8,2.9516677448774924e-05,concat,9,False,True,0.18534878458993082,disabled cell,22.0,7.0
-2,tanimoto,507,180,0.7379912663755459,0.26200873362445415,0.514792899408284,0.48520710059171596,0.5611111111111111,0.4388888888888889,0.4411764705882353,0.5588235294117647,34,0,0.854043392504931,0.0,0.5784943699836731,0.7333333492279053,0.7757009267807007,0.7333333492279053,1.509034276008606,0.7345132827758789,0.8217821717262268,0.815954327583313,0.8497933745384216,0.6705882549285889,0.6266666650772095,0.6705882549285889,1.2972549200057983,0.6266666650772095,0.6266666650772095,0.6482105255126953,256,8,2.9516677448774924e-05,concat,9,False,True,0.18534878458993082,disabled smiles,22.0,7.0
-2,tanimoto,507,180,0.7379912663755459,0.26200873362445415,0.514792899408284,0.48520710059171596,0.5611111111111111,0.4388888888888889,0.4411764705882353,0.5588235294117647,34,0,0.854043392504931,0.0,0.6643363237380981,0.6166666746139526,0.6960352659225464,0.6166666746139526,1.312701940536499,0.6269841194152832,0.7821782231330872,0.6864268779754639,0.7286768555641174,0.5764706134796143,0.5609756112098694,0.5764706134796143,1.1374461650848389,0.516853928565979,0.6133333444595337,0.6468771696090698,256,8,2.9516677448774924e-05,concat,9,False,True,0.18534878458993082,disabled e3 cell,22.0,7.0
-2,tanimoto,507,180,0.7379912663755459,0.26200873362445415,0.514792899408284,0.48520710059171596,0.5611111111111111,0.4388888888888889,0.4411764705882353,0.5588235294117647,34,0,0.854043392504931,0.0,0.6848646402359009,0.5666666626930237,0.625,0.5666666626930237,1.191666603088379,0.6074766516685486,0.6435643434524536,0.5668003559112549,0.6814317107200623,0.5764706134796143,0.5955055952072144,0.5764706134796143,1.1719762086868286,0.5145630836486816,0.7066666483879089,0.6294035315513611,256,8,2.9516677448774924e-05,concat,9,False,True,0.18534878458993082,disabled poi e3 cell,22.0,7.0
-3,tanimoto,584,103,0.8500727802037845,0.14992721979621543,0.5393835616438356,0.4606164383561644,0.4563106796116505,0.5436893203883495,0.4411764705882353,0.5588235294117647,27,0,0.7414383561643836,0.0,0.5715194344520569,0.737864077091217,0.7428571581840515,0.737864077091217,1.4807212352752686,0.6724137663841248,0.8297872543334961,0.7606382966041565,0.670668363571167,0.6529411673545837,0.5986394286155701,0.6529411673545837,1.2515805959701538,0.6111111044883728,0.5866666436195374,0.7232280373573303,256,32,3.1638168552287597e-05,sum,11,True,True,0.10852229897588897,,24.0,5.0
-3,tanimoto,584,103,0.8500727802037845,0.14992721979621543,0.5393835616438356,0.4606164383561644,0.4563106796116505,0.5436893203883495,0.4411764705882353,0.5588235294117647,27,0,0.7414383561643836,0.0,0.6437762975692749,0.6601941585540771,0.6464646458625793,0.6601941585540771,1.3066587448120117,0.6153846383094788,0.6808510422706604,0.6812310218811035,0.6853355765342712,0.5823529362678528,0.5477706789970398,0.5823529362678528,1.1301236152648926,0.5243902206420898,0.5733333230018616,0.6174737215042114,256,32,3.1638168552287597e-05,sum,11,True,True,0.10852229897588897,disabled poi,24.0,5.0
-3,tanimoto,584,103,0.8500727802037845,0.14992721979621543,0.5393835616438356,0.4606164383561644,0.4563106796116505,0.5436893203883495,0.4411764705882353,0.5588235294117647,27,0,0.7414383561643836,0.0,0.6224578022956848,0.6407766938209534,0.6407766938209534,0.6407766938209534,1.2815533876419067,0.5892857313156128,0.7021276354789734,0.7175151705741882,0.7040374875068665,0.570588231086731,0.5290322303771973,0.570588231086731,1.0996204614639282,0.512499988079071,0.54666668176651,0.6567018032073975,256,32,3.1638168552287597e-05,sum,11,True,True,0.10852229897588897,disabled cell,24.0,5.0
-3,tanimoto,584,103,0.8500727802037845,0.14992721979621543,0.5393835616438356,0.4606164383561644,0.4563106796116505,0.5436893203883495,0.4411764705882353,0.5588235294117647,27,0,0.7414383561643836,0.0,0.6015993356704712,0.6796116232872009,0.6526315808296204,0.6796116232872009,1.3322432041168213,0.6458333134651184,0.6595744490623474,0.7479103803634644,0.722595751285553,0.6235294342041016,0.5362318754196167,0.6235294342041016,1.1597613096237183,0.5873016119003296,0.4933333396911621,0.683719277381897,256,32,3.1638168552287597e-05,sum,11,True,True,0.10852229897588897,disabled smiles,24.0,5.0
-3,tanimoto,584,103,0.8500727802037845,0.14992721979621543,0.5393835616438356,0.4606164383561644,0.4563106796116505,0.5436893203883495,0.4411764705882353,0.5588235294117647,27,0,0.7414383561643836,0.0,0.635199785232544,0.6213592290878296,0.5185185074806213,0.6213592290878296,1.1398777961730957,0.6176470518112183,0.44680851697921753,0.7102963328361511,0.7908110618591309,0.6411764621734619,0.48739495873451233,0.6411764621734619,1.1285713911056519,0.6590909361839294,0.3866666555404663,0.605193018913269,256,32,3.1638168552287597e-05,sum,11,True,True,0.10852229897588897,disabled e3 cell,24.0,5.0
-3,tanimoto,584,103,0.8500727802037845,0.14992721979621543,0.5393835616438356,0.4606164383561644,0.4563106796116505,0.5436893203883495,0.4411764705882353,0.5588235294117647,27,0,0.7414383561643836,0.0,0.7171721458435059,0.582524299621582,0.37681159377098083,0.582524299621582,0.9593359231948853,0.5909090638160706,0.27659574151039124,0.5757978558540344,0.7050885558128357,0.5176470875740051,0.19607843458652496,0.5176470875740051,0.7137255072593689,0.37037035822868347,0.13333334028720856,0.5801403522491455,256,32,3.1638168552287597e-05,sum,11,True,True,0.10852229897588897,disabled poi e3 cell,24.0,5.0
-4,tanimoto,585,102,0.851528384279476,0.14847161572052403,0.5264957264957265,0.4735042735042735,0.5294117647058824,0.47058823529411764,0.4411764705882353,0.5588235294117647,33,0,0.8478632478632478,0.0,0.4177718460559845,0.7941176295280457,0.8141592741012573,0.7941176295280457,1.6082768440246582,0.7796609997749329,0.8518518805503845,0.8993055820465088,0.6365903615951538,0.6941176652908325,0.611940324306488,0.6941176652908325,1.3060579299926758,0.694915235042572,0.54666668176651,0.7374035120010376,512,32,1.1193029835813452e-05,beginning,3,True,True,0.10647012425893211,,24.0,5.0
-4,tanimoto,585,102,0.851528384279476,0.14847161572052403,0.5264957264957265,0.4735042735042735,0.5294117647058824,0.47058823529411764,0.4411764705882353,0.5588235294117647,33,0,0.8478632478632478,0.0,0.5814415216445923,0.7156862616539001,0.7339449524879456,0.7156862616539001,1.4496312141418457,0.7272727489471436,0.7407407164573669,0.7770061492919922,0.6567115783691406,0.5764706134796143,0.5199999809265137,0.5764706134796143,1.096470594406128,0.5199999809265137,0.5199999809265137,0.6730526685714722,512,32,1.1193029835813452e-05,beginning,3,True,True,0.10647012425893211,disabled poi,24.0,5.0
-4,tanimoto,585,102,0.851528384279476,0.14847161572052403,0.5264957264957265,0.4735042735042735,0.5294117647058824,0.47058823529411764,0.4411764705882353,0.5588235294117647,33,0,0.8478632478632478,0.0,0.5775591135025024,0.7058823704719543,0.761904776096344,0.7058823704719543,1.4677871465682983,0.6666666865348816,0.8888888955116272,0.8018904328346252,0.7450157999992371,0.6000000238418579,0.5903614163398743,0.6000000238418579,1.190361499786377,0.5384615659713745,0.653333306312561,0.6857544183731079,512,32,1.1193029835813452e-05,beginning,3,True,True,0.10647012425893211,disabled cell,24.0,5.0
-4,tanimoto,585,102,0.851528384279476,0.14847161572052403,0.5264957264957265,0.4735042735042735,0.5294117647058824,0.47058823529411764,0.4411764705882353,0.5588235294117647,33,0,0.8478632478632478,0.0,0.46148231625556946,0.813725471496582,0.8403361439704895,0.813725471496582,1.6540615558624268,0.7692307829856873,0.9259259104728699,0.8767361044883728,0.7691570520401001,0.6235294342041016,0.594936728477478,0.6235294342041016,1.2184661626815796,0.5662650465965271,0.6266666650772095,0.6793683767318726,512,32,1.1193029835813452e-05,beginning,3,True,True,0.10647012425893211,disabled smiles,24.0,5.0
-4,tanimoto,585,102,0.851528384279476,0.14847161572052403,0.5264957264957265,0.4735042735042735,0.5294117647058824,0.47058823529411764,0.4411764705882353,0.5588235294117647,33,0,0.8478632478632478,0.0,0.5652368664741516,0.7549019455909729,0.7706422209739685,0.7549019455909729,1.5255441665649414,0.7636363506317139,0.7777777910232544,0.7961033582687378,0.7902994751930237,0.6411764621734619,0.5271317958831787,0.6411764621734619,1.1683082580566406,0.6296296119689941,0.4533333480358124,0.6593683958053589,512,32,1.1193029835813452e-05,beginning,3,True,True,0.10647012425893211,disabled e3 cell,24.0,5.0
-4,tanimoto,585,102,0.851528384279476,0.14847161572052403,0.5264957264957265,0.4735042735042735,0.5294117647058824,0.47058823529411764,0.4411764705882353,0.5588235294117647,33,0,0.8478632478632478,0.0,0.6877713799476624,0.5784313678741455,0.4941176474094391,0.5784313678741455,1.0725489854812622,0.6774193644523621,0.3888888955116272,0.6583719253540039,0.697287380695343,0.5176470875740051,0.28070175647735596,0.5176470875740051,0.7983488440513611,0.41025641560554504,0.2133333384990692,0.5736842155456543,512,32,1.1193029835813452e-05,beginning,3,True,True,0.10647012425893211,disabled poi e3 cell,24.0,5.0
-0,uniprot,518,172,0.7507246376811594,0.2492753623188406,0.5096525096525096,0.49034749034749037,0.5058139534883721,0.4941860465116279,0.5149700598802395,0.48502994011976047,0,19,0.0,0.03667953667953668,0.49918484687805176,0.7558139562606812,0.774193525314331,0.7558139562606812,1.5300074815750122,0.7272727489471436,0.8275862336158752,0.818526029586792,0.7977159023284912,0.5269461274147034,0.5433526039123535,0.5269461274147034,1.070298671722412,0.540229856967926,0.5465116500854492,0.5590008497238159,512,16,1.73766026347834e-05,concat,14,True,False,0.32015471030100695,,19.0,5.0
-0,uniprot,518,172,0.7507246376811594,0.2492753623188406,0.5096525096525096,0.49034749034749037,0.5058139534883721,0.4941860465116279,0.5149700598802395,0.48502994011976047,0,19,0.0,0.03667953667953668,0.7161619067192078,0.5465116500854492,0.23529411852359772,0.5465116500854492,0.7818057537078857,0.800000011920929,0.13793103396892548,0.5373901128768921,0.711246132850647,0.5329341292381287,0.3709677457809448,0.5329341292381287,0.9039018750190735,0.6052631735801697,0.26744186878204346,0.5505311489105225,512,16,1.73766026347834e-05,concat,14,True,False,0.32015471030100695,disabled poi,19.0,5.0
-0,uniprot,518,172,0.7507246376811594,0.2492753623188406,0.5096525096525096,0.49034749034749037,0.5058139534883721,0.4941860465116279,0.5149700598802395,0.48502994011976047,0,19,0.0,0.03667953667953668,0.6083741784095764,0.6162790656089783,0.6206896305084229,0.6162790656089783,1.236968755722046,0.6206896305084229,0.6206896305084229,0.6832995414733887,0.8223643898963928,0.485029935836792,0.4819277226924896,0.485029935836792,0.966957688331604,0.5,0.4651162922382355,0.5101205706596375,512,16,1.73766026347834e-05,concat,14,True,False,0.32015471030100695,disabled cell,19.0,5.0
-0,uniprot,518,172,0.7507246376811594,0.2492753623188406,0.5096525096525096,0.49034749034749037,0.5058139534883721,0.4941860465116279,0.5149700598802395,0.48502994011976047,0,19,0.0,0.03667953667953668,0.5014075636863708,0.7325581312179565,0.7788461446762085,0.7325581312179565,1.511404275894165,0.6694214940071106,0.931034505367279,0.840229868888855,0.7807838320732117,0.5808383226394653,0.6236559152603149,0.5808383226394653,1.2044942378997803,0.5799999833106995,0.6744186282157898,0.6005598306655884,512,16,1.73766026347834e-05,concat,14,True,False,0.32015471030100695,disabled smiles,19.0,5.0
-0,uniprot,518,172,0.7507246376811594,0.2492753623188406,0.5096525096525096,0.49034749034749037,0.5058139534883721,0.4941860465116279,0.5149700598802395,0.48502994011976047,0,19,0.0,0.03667953667953668,0.6201565265655518,0.6744186282157898,0.7142857313156128,0.6744186282157898,1.3887042999267578,0.642201840877533,0.8045976758003235,0.7353616952896118,0.8778693079948425,0.473053902387619,0.5510203838348389,0.473053902387619,1.0240743160247803,0.4909090995788574,0.6279069781303406,0.4692075848579407,512,16,1.73766026347834e-05,concat,14,True,False,0.32015471030100695,disabled e3 cell,19.0,5.0
-0,uniprot,518,172,0.7507246376811594,0.2492753623188406,0.5096525096525096,0.49034749034749037,0.5058139534883721,0.4941860465116279,0.5149700598802395,0.48502994011976047,0,19,0.0,0.03667953667953668,0.710619330406189,0.4767441749572754,0.21052631735801697,0.4767441749572754,0.6872705221176147,0.4444444477558136,0.13793103396892548,0.4067612886428833,0.7095551490783691,0.473053902387619,0.20000000298023224,0.473053902387619,0.6730539202690125,0.4583333432674408,0.12790697813034058,0.4554263651371002,512,16,1.73766026347834e-05,concat,14,True,False,0.32015471030100695,disabled poi e3 cell,19.0,5.0
-1,uniprot,574,116,0.8318840579710145,0.1681159420289855,0.524390243902439,0.47560975609756095,0.43103448275862066,0.5689655172413793,0.5149700598802395,0.48502994011976047,0,0,0.0,0.0,0.6508262157440186,0.5603448152542114,0.5048543810844421,0.5603448152542114,1.0651991367340088,0.49056604504585266,0.5199999809265137,0.6260606050491333,0.7397012114524841,0.544910192489624,0.6000000238418579,0.544910192489624,1.144910216331482,0.5480769276618958,0.6627907156944275,0.5938845872879028,256,32,1.5687508899959317e-05,sum,9,True,True,0.21700764866182395,,18.0,6.0
-1,uniprot,574,116,0.8318840579710145,0.1681159420289855,0.524390243902439,0.47560975609756095,0.43103448275862066,0.5689655172413793,0.5149700598802395,0.48502994011976047,0,0,0.0,0.0,0.7532435059547424,0.5258620977401733,0.4859813153743744,0.5258620977401733,1.0118434429168701,0.45614033937454224,0.5199999809265137,0.5687878131866455,0.8394447565078735,0.4790419042110443,0.5756097435951233,0.4790419042110443,1.0546516180038452,0.4957983195781708,0.6860465407371521,0.49296581745147705,256,32,1.5687508899959317e-05,sum,9,True,True,0.21700764866182395,disabled poi,18.0,6.0
-1,uniprot,574,116,0.8318840579710145,0.1681159420289855,0.524390243902439,0.47560975609756095,0.43103448275862066,0.5689655172413793,0.5149700598802395,0.48502994011976047,0,0,0.0,0.0,0.7339584827423096,0.5431034564971924,0.4421052634716034,0.5431034564971924,0.9852087497711182,0.46666666865348816,0.41999998688697815,0.5483333468437195,0.7281816601753235,0.5209580659866333,0.5454545617103577,0.5209580659866333,1.0664126873016357,0.5333333611488342,0.5581395626068115,0.5251938104629517,256,32,1.5687508899959317e-05,sum,9,True,True,0.21700764866182395,disabled cell,18.0,6.0
-1,uniprot,574,116,0.8318840579710145,0.1681159420289855,0.524390243902439,0.47560975609756095,0.43103448275862066,0.5689655172413793,0.5149700598802395,0.48502994011976047,0,0,0.0,0.0,0.7144778966903687,0.6034482717514038,0.6034482717514038,0.6034482717514038,1.2068965435028076,0.5303030014038086,0.699999988079071,0.5971212387084961,0.7713910937309265,0.598802387714386,0.6699507236480713,0.598802387714386,1.2687530517578125,0.5811966061592102,0.7906976938247681,0.5940998792648315,256,32,1.5687508899959317e-05,sum,9,True,True,0.21700764866182395,disabled smiles,18.0,6.0
-1,uniprot,574,116,0.8318840579710145,0.1681159420289855,0.524390243902439,0.47560975609756095,0.43103448275862066,0.5689655172413793,0.5149700598802395,0.48502994011976047,0,0,0.0,0.0,0.76240473985672,0.4655172526836395,0.4655172526836395,0.4655172526836395,0.931034505367279,0.40909090638160706,0.5400000214576721,0.4845454692840576,0.7832589745521545,0.473053902387619,0.5416666865348816,0.473053902387619,1.0147205591201782,0.49056604504585266,0.604651153087616,0.46332186460494995,256,32,1.5687508899959317e-05,sum,9,True,True,0.21700764866182395,disabled e3 cell,18.0,6.0
-1,uniprot,574,116,0.8318840579710145,0.1681159420289855,0.524390243902439,0.47560975609756095,0.43103448275862066,0.5689655172413793,0.5149700598802395,0.48502994011976047,0,0,0.0,0.0,0.7155185341835022,0.517241358757019,0.48148149251937866,0.517241358757019,0.9987228512763977,0.4482758641242981,0.5199999809265137,0.4989393949508667,0.7051386833190918,0.56886225938797,0.5909090638160706,0.56886225938797,1.1597713232040405,0.5777778029441833,0.604651153087616,0.5433533787727356,256,32,1.5687508899959317e-05,sum,9,True,True,0.21700764866182395,disabled poi e3 cell,18.0,6.0
-2,uniprot,556,134,0.8057971014492754,0.19420289855072465,0.5359712230215827,0.46402877697841727,0.39552238805970147,0.6044776119402985,0.5149700598802395,0.48502994011976047,0,19,0.0,0.06294964028776978,0.43640053272247314,0.8208954930305481,0.7333333492279053,0.8208954930305481,1.5542287826538086,0.8918918967247009,0.6226415038108826,0.9017003774642944,1.195684790611267,0.5868263244628906,0.6229507923126221,0.5868263244628906,1.2097771167755127,0.5876288414001465,0.6627907156944275,0.5752224922180176,512,8,0.0004158665808644365,beginning,5,False,True,0.15145721821936414,,19.0,5.0
-2,uniprot,556,134,0.8057971014492754,0.19420289855072465,0.5359712230215827,0.46402877697841727,0.39552238805970147,0.6044776119402985,0.5149700598802395,0.48502994011976047,0,19,0.0,0.06294964028776978,0.7557805180549622,0.46268656849861145,0.5135135054588318,0.46268656849861145,0.9762001037597656,0.4000000059604645,0.7169811129570007,0.4952247738838196,0.7167389988899231,0.485029935836792,0.488095223903656,0.485029935836792,0.973125159740448,0.5,0.4767441749572754,0.5304335951805115,512,8,0.0004158665808644365,beginning,5,False,True,0.15145721821936414,disabled poi,19.0,5.0
-2,uniprot,556,134,0.8057971014492754,0.19420289855072465,0.5359712230215827,0.46402877697841727,0.39552238805970147,0.6044776119402985,0.5149700598802395,0.48502994011976047,0,19,0.0,0.06294964028776978,0.6547582149505615,0.5820895433425903,0.31707316637039185,0.5820895433425903,0.8991627097129822,0.4482758641242981,0.24528302252292633,0.5826927423477173,0.71503084897995,0.5568862557411194,0.5795454382896423,0.5568862557411194,1.1364316940307617,0.5666666626930237,0.5930232405662537,0.5956790447235107,512,8,0.0004158665808644365,beginning,5,False,True,0.15145721821936414,disabled cell,19.0,5.0
-2,uniprot,556,134,0.8057971014492754,0.19420289855072465,0.5359712230215827,0.46402877697841727,0.39552238805970147,0.6044776119402985,0.5149700598802395,0.48502994011976047,0,19,0.0,0.06294964028776978,0.6911318302154541,0.6791045069694519,0.5656565427780151,0.6791045069694519,1.2447609901428223,0.6086956262588501,0.5283018946647644,0.5599813461303711,0.7311457395553589,0.5029940009117126,0.5029940009117126,0.5029940009117126,1.0059880018234253,0.5185185074806213,0.4883720874786377,0.5922337174415588,512,8,0.0004158665808644365,beginning,5,False,True,0.15145721821936414,disabled smiles,19.0,5.0
-2,uniprot,556,134,0.8057971014492754,0.19420289855072465,0.5359712230215827,0.46402877697841727,0.39552238805970147,0.6044776119402985,0.5149700598802395,0.48502994011976047,0,19,0.0,0.06294964028776978,0.6876697540283203,0.6268656849861145,0.5967742204666138,0.6268656849861145,1.223639965057373,0.5211267471313477,0.698113203048706,0.6231074333190918,0.7817475199699402,0.46706587076187134,0.5821596384048462,0.46706587076187134,1.0492255687713623,0.4881889820098877,0.7209302186965942,0.5174418687820435,512,8,0.0004158665808644365,beginning,5,False,True,0.15145721821936414,disabled e3 cell,19.0,5.0
-2,uniprot,556,134,0.8057971014492754,0.19420289855072465,0.5359712230215827,0.46402877697841727,0.39552238805970147,0.6044776119402985,0.5149700598802395,0.48502994011976047,0,19,0.0,0.06294964028776978,0.6480645537376404,0.5820895433425903,0.3913043439388275,0.5820895433425903,0.9733939170837402,0.4615384638309479,0.3396226465702057,0.4669228792190552,0.7616036534309387,0.49700599908828735,0.5280898809432983,0.49700599908828735,1.0250959396362305,0.510869562625885,0.5465116500854492,0.4901665151119232,512,8,0.0004158665808644365,beginning,5,False,True,0.15145721821936414,disabled poi e3 cell,19.0,5.0
-3,uniprot,531,159,0.7695652173913043,0.23043478260869565,0.4896421845574388,0.5103578154425612,0.5723270440251572,0.4276729559748428,0.5149700598802395,0.48502994011976047,0,0,0.0,0.0,0.6956402659416199,0.43396225571632385,0.5408163070678711,0.43396225571632385,0.9747785329818726,0.5047619342803955,0.5824176073074341,0.40917903184890747,0.6876813769340515,0.5508981943130493,0.6268656849861145,0.5508981943130493,1.1777639389038086,0.5478261113166809,0.7325581312179565,0.5967556238174438,512,32,1.3752703542925264e-05,beginning,15,True,False,0.32204696106726266,,19.0,5.0
-3,uniprot,531,159,0.7695652173913043,0.23043478260869565,0.4896421845574388,0.5103578154425612,0.5723270440251572,0.4276729559748428,0.5149700598802395,0.48502994011976047,0,0,0.0,0.0,0.7348209023475647,0.5157232880592346,0.6169154047966003,0.5157232880592346,1.132638692855835,0.5636363625526428,0.6813187003135681,0.4927278757095337,0.7280812859535217,0.485029935836792,0.5784313678741455,0.485029935836792,1.0634613037109375,0.5,0.6860465407371521,0.5687625408172607,512,32,1.3752703542925264e-05,beginning,15,True,False,0.32204696106726266,disabled poi,19.0,5.0
-3,uniprot,531,159,0.7695652173913043,0.23043478260869565,0.4896421845574388,0.5103578154425612,0.5723270440251572,0.4276729559748428,0.5149700598802395,0.48502994011976047,0,0,0.0,0.0,0.7890798449516296,0.4528301954269409,0.3741007149219513,0.4528301954269409,0.8269308805465698,0.5416666865348816,0.2857142984867096,0.4495798349380493,0.6882826685905457,0.56886225938797,0.5764706134796143,0.56886225938797,1.1453328132629395,0.5833333134651184,0.569767415523529,0.620944619178772,512,32,1.3752703542925264e-05,beginning,15,True,False,0.32204696106726266,disabled cell,19.0,5.0
-3,uniprot,531,159,0.7695652173913043,0.23043478260869565,0.4896421845574388,0.5103578154425612,0.5723270440251572,0.4276729559748428,0.5149700598802395,0.48502994011976047,0,0,0.0,0.0,0.7601038217544556,0.49056604504585266,0.5524861812591553,0.49056604504585266,1.0430521965026855,0.5555555820465088,0.5494505763053894,0.5416935682296753,0.7766252160072327,0.5508981943130493,0.623115599155426,0.5508981943130493,1.1740138530731201,0.5486725568771362,0.7209302186965942,0.6232414245605469,512,32,1.3752703542925264e-05,beginning,15,True,False,0.32204696106726266,disabled smiles,19.0,5.0
-3,uniprot,531,159,0.7695652173913043,0.23043478260869565,0.4896421845574388,0.5103578154425612,0.5723270440251572,0.4276729559748428,0.5149700598802395,0.48502994011976047,0,0,0.0,0.0,0.7396054863929749,0.5220125913619995,0.6513761281967163,0.5220125913619995,1.1733887195587158,0.5590550899505615,0.7802197933197021,0.5002424120903015,0.7437199354171753,0.514970064163208,0.6399999856948853,0.514970064163208,1.1549700498580933,0.5179855823516846,0.8372092843055725,0.5467270016670227,512,32,1.3752703542925264e-05,beginning,15,True,False,0.32204696106726266,disabled e3 cell,19.0,5.0
-3,uniprot,531,159,0.7695652173913043,0.23043478260869565,0.4896421845574388,0.5103578154425612,0.5723270440251572,0.4276729559748428,0.5149700598802395,0.48502994011976047,0,0,0.0,0.0,0.7567808628082275,0.42138364911079407,0.07999999821186066,0.42138364911079407,0.5013836622238159,0.4444444477558136,0.04395604506134987,0.33734649419784546,0.703303337097168,0.5089820623397827,0.16326530277729034,0.5089820623397827,0.6722473502159119,0.6666666865348816,0.09302325546741486,0.5744329690933228,512,32,1.3752703542925264e-05,beginning,15,True,False,0.32204696106726266,disabled poi e3 cell,19.0,5.0
-4,uniprot,581,109,0.8420289855072464,0.15797101449275364,0.4836488812392427,0.5163511187607573,0.6422018348623854,0.3577981651376147,0.5149700598802395,0.48502994011976047,0,0,0.0,0.0,0.6372873783111572,0.5779816508293152,0.6349206566810608,0.5779816508293152,1.212902307510376,0.7142857313156128,0.5714285969734192,0.6844322085380554,0.7016631364822388,0.473053902387619,0.5925925970077515,0.473053902387619,1.0656465291976929,0.4923076927661896,0.7441860437393188,0.5037323832511902,256,32,1.6362501644580523e-05,beginning,13,True,False,0.24461961614565522,,21.0,3.0
-4,uniprot,581,109,0.8420289855072464,0.15797101449275364,0.4836488812392427,0.5163511187607573,0.6422018348623854,0.3577981651376147,0.5149700598802395,0.48502994011976047,0,0,0.0,0.0,0.7862507104873657,0.4403669834136963,0.5196850299835205,0.4403669834136963,0.9600520133972168,0.5789473652839661,0.4714285731315613,0.4822344183921814,0.7701031565666199,0.4790419042110443,0.6063348650932312,0.4790419042110443,1.0853767395019531,0.4962962865829468,0.7790697813034058,0.4787539541721344,256,32,1.6362501644580523e-05,beginning,13,True,False,0.24461961614565522,disabled poi,21.0,3.0
-4,uniprot,581,109,0.8420289855072464,0.15797101449275364,0.4836488812392427,0.5163511187607573,0.6422018348623854,0.3577981651376147,0.5149700598802395,0.48502994011976047,0,0,0.0,0.0,0.9442664980888367,0.4403669834136963,0.2278480976819992,0.4403669834136963,0.6682150959968567,1.0,0.12857143580913544,0.7961538434028625,0.8524972200393677,0.5329341292381287,0.31578946113586426,0.5329341292381287,0.8487235903739929,0.6428571343421936,0.20930232107639313,0.5172983407974243,256,32,1.6362501644580523e-05,beginning,13,True,False,0.24461961614565522,disabled cell,21.0,3.0
-4,uniprot,581,109,0.8420289855072464,0.15797101449275364,0.4836488812392427,0.5163511187607573,0.6422018348623854,0.3577981651376147,0.5149700598802395,0.48502994011976047,0,0,0.0,0.0,0.8478634357452393,0.47706422209739685,0.4672897160053253,0.47706422209739685,0.9443539381027222,0.6756756901741028,0.3571428656578064,0.595787525177002,0.7247999906539917,0.56886225938797,0.5714285969734192,0.56886225938797,1.1402908563613892,0.5853658318519592,0.5581395626068115,0.5775911808013916,256,32,1.6362501644580523e-05,beginning,13,True,False,0.24461961614565522,disabled smiles,21.0,3.0
-4,uniprot,581,109,0.8420289855072464,0.15797101449275364,0.4836488812392427,0.5163511187607573,0.6422018348623854,0.3577981651376147,0.5149700598802395,0.48502994011976047,0,0,0.0,0.0,0.6951965093612671,0.5779816508293152,0.5892857313156128,0.5779816508293152,1.1672673225402832,0.7857142686843872,0.4714285731315613,0.7382783889770508,0.854817271232605,0.4371257424354553,0.4268292784690857,0.4371257424354553,0.863955020904541,0.44871795177459717,0.40697672963142395,0.4587280750274658,256,32,1.6362501644580523e-05,beginning,13,True,False,0.24461961614565522,disabled e3 cell,21.0,3.0
-4,uniprot,581,109,0.8420289855072464,0.15797101449275364,0.4836488812392427,0.5163511187607573,0.6422018348623854,0.3577981651376147,0.5149700598802395,0.48502994011976047,0,0,0.0,0.0,0.7801188826560974,0.4128440320491791,0.38461539149284363,0.4128440320491791,0.7974594235420227,0.5882353186607361,0.2857142984867096,0.4968864321708679,0.8086859583854675,0.443113774061203,0.3921568691730499,0.443113774061203,0.8352706432342529,0.447761207818985,0.3488371968269348,0.43920469284057617,256,32,1.6362501644580523e-05,beginning,13,True,False,0.24461961614565522,disabled poi e3 cell,21.0,3.0
-0,random,548,138,0.7988338192419825,0.20116618075801748,0.5109489051094891,0.48905109489051096,0.5144927536231884,0.4855072463768116,0.5029239766081871,0.49707602339181284,36,45,0.8558394160583942,0.12773722627737227,0.5622103214263916,0.7681159377098083,0.7922077775001526,0.7681159377098083,1.560323715209961,0.7349397540092468,0.8591549396514893,0.8091233968734741,0.5517100095748901,0.7426900863647461,0.7755101919174194,0.7426900863647461,1.5182002782821655,0.6909090876579285,0.8837209343910217,0.8296853303909302,512,16,1.7221700002340547e-05,sum,14,False,True,0.15240823317125454,disabled e3,,
-1,random,549,137,0.8002915451895044,0.19970845481049562,0.51183970856102,0.48816029143898,0.5109489051094891,0.48905109489051096,0.5029239766081871,0.49707602339181284,33,55,0.8069216757741348,0.1384335154826958,0.42736274003982544,0.8102189898490906,0.8311688303947449,0.8102189898490906,1.6413878202438354,0.761904776096344,0.9142857193946838,0.8929637670516968,0.5507400035858154,0.7485380172729492,0.7860696315765381,0.7485380172729492,1.5346076488494873,0.686956524848938,0.9186046719551086,0.8380300998687744,512,32,6.051486639727546e-05,sum,3,True,True,0.11589639827158782,disabled e3,,
-2,random,549,137,0.8002915451895044,0.19970845481049562,0.51183970856102,0.48816029143898,0.5109489051094891,0.48905109489051096,0.5029239766081871,0.49707602339181284,42,46,0.9326047358834244,0.14207650273224043,0.5420770049095154,0.7372262477874756,0.7721518874168396,0.7372262477874756,1.50937819480896,0.6931818127632141,0.8714285492897034,0.8321961164474487,0.6053021550178528,0.719298243522644,0.7692307829856873,0.719298243522644,1.4885289669036865,0.6557376980781555,0.930232584476471,0.7941176891326904,768,32,2.459285682720553e-05,concat,9,False,True,0.1317889357914079,disabled e3,,
-3,random,549,137,0.8002915451895044,0.19970845481049562,0.51183970856102,0.48816029143898,0.5109489051094891,0.48905109489051096,0.5029239766081871,0.49707602339181284,39,45,0.8597449908925319,0.11839708561020036,0.5066949129104614,0.7664233446121216,0.800000011920929,0.7664233446121216,1.5664234161376953,0.7111111283302307,0.9142857193946838,0.834115207195282,0.5772632956504822,0.7485380172729492,0.790243923664093,0.7485380172729492,1.5387818813323975,0.680672287940979,0.9418604373931885,0.8247606158256531,768,32,1.463290121247812e-05,concat,10,True,True,0.23059748031767513,disabled e3,,
-4,random,549,137,0.8002915451895044,0.19970845481049562,0.51183970856102,0.48816029143898,0.5109489051094891,0.48905109489051096,0.5029239766081871,0.49707602339181284,39,47,0.9052823315118397,0.12386156648451731,0.5445806384086609,0.7518247961997986,0.725806474685669,0.7518247961997986,1.4776313304901123,0.8333333134651184,0.6428571343421936,0.843070387840271,0.5619798898696899,0.7309941649436951,0.7386363744735718,0.7309941649436951,1.469630479812622,0.7222222089767456,0.7558139562606812,0.7980847954750061,512,16,1.2773965426131252e-05,concat,4,False,True,0.21738097435285753,disabled e3,,
-0,e3_ligase,644,162,0.7990074441687345,0.20099255583126552,0.531055900621118,0.468944099378882,0.5308641975308642,0.4691358024691358,0.17647058823529413,0.8235294117647058,38,71,0.8773291925465838,0.16925465838509315,0.4431441128253937,0.8024691343307495,0.8160919547080994,0.8024691343307495,1.618561029434204,0.8068181872367859,0.8255813717842102,0.8844859600067139,1.2793139219284058,0.4901960790157318,0.380952388048172,0.4901960790157318,0.8711484670639038,0.24242424964904785,0.8888888955116272,0.6719576716423035,512,16,1.2628563960558583e-05,concat,4,True,True,0.24842305976778845,disabled e3,2.0,2.0
-1,e3_ligase,645,161,0.8002481389578163,0.19975186104218362,0.5302325581395348,0.4697674418604651,0.5341614906832298,0.4658385093167702,0.17647058823529413,0.8235294117647058,40,78,0.9333333333333333,0.2,0.4913827180862427,0.7453415989875793,0.7284768223762512,0.7453415989875793,1.4738184213638306,0.8461538553237915,0.6395348906517029,0.876899242401123,0.8774079084396362,0.6078431606292725,0.4444444477558136,0.6078431606292725,1.0522875785827637,0.29629629850387573,0.8888888955116272,0.7169312238693237,512,32,1.0703113748644837e-05,beginning,7,False,True,0.1356055599948816,disabled e3,2.0,2.0
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reports/cv_report_hparam_search_5-splits_active-and.csv

@@ -1,136 +0,0 @@
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-1,random,859,215,0.7998137802607076,0.20018621973929238,0.259604190919674,0.740395809080326,0.26046511627906976,0.7395348837209302,0.07692307692307693,0.9230769230769231,47,102,disabled e3 cell,0.6006250381469727,0.7906976938247681,0.6341463327407837,0.7906976938247681,1.4248440265655518,0.5820895433425903,0.6964285969734192,0.8601751923561096,0.8066063523292542,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.08333331346511841,512,16,1.6177935575466194e-05,20,sum,9,,
-1,random,859,215,0.7998137802607076,0.20018621973929238,0.259604190919674,0.740395809080326,0.26046511627906976,0.7395348837209302,0.07692307692307693,0.9230769230769231,47,102,disabled poi e3 cell,0.5854597091674805,0.8093023300170898,0.6771653294563293,0.8093023300170898,1.4864675998687744,0.6056337952613831,0.7678571343421936,0.8665206432342529,0.8228020071983337,0.692307710647583,0.0,0.692307710647583,0.692307710647583,0.0,0.0,0.08333331346511841,512,16,1.6177935575466194e-05,20,sum,9,,
-2,random,859,215,0.7998137802607076,0.20018621973929238,0.259604190919674,0.740395809080326,0.26046511627906976,0.7395348837209302,0.07692307692307693,0.9230769230769231,50,93,,0.4388067126274109,0.7860465049743652,0.6229507923126221,0.7860465049743652,1.4089972972869873,0.5757575631141663,0.6785714030265808,0.8522012233734131,0.551670491695404,0.7692307829856873,0.0,0.7692307829856873,0.7692307829856873,0.0,0.0,0.1666666865348816,256,8,1.7158490206515714e-05,10,sum,11,,
-2,random,859,215,0.7998137802607076,0.20018621973929238,0.259604190919674,0.740395809080326,0.26046511627906976,0.7395348837209302,0.07692307692307693,0.9230769230769231,50,93,disabled poi,0.56281578540802,0.8465116024017334,0.6666666865348816,0.8465116024017334,1.5131783485412598,0.7674418687820435,0.5892857313156128,0.8510220050811768,0.410960853099823,0.9230769276618958,0.0,0.9230769276618958,0.9230769276618958,0.0,0.0,0.5,256,8,1.7158490206515714e-05,10,sum,11,,
-2,random,859,215,0.7998137802607076,0.20018621973929238,0.259604190919674,0.740395809080326,0.26046511627906976,0.7395348837209302,0.07692307692307693,0.9230769230769231,50,93,disabled cell,0.5622830390930176,0.8139534592628479,0.6296296119689941,0.8139534592628479,1.4435830116271973,0.6538461446762085,0.6071428656578064,0.8590520620346069,0.7029720544815063,0.7692307829856873,0.0,0.7692307829856873,0.7692307829856873,0.0,0.0,0.1666666865348816,256,8,1.7158490206515714e-05,10,sum,11,,
-2,random,859,215,0.7998137802607076,0.20018621973929238,0.259604190919674,0.740395809080326,0.26046511627906976,0.7395348837209302,0.07692307692307693,0.9230769230769231,50,93,disabled smiles,0.5718172192573547,0.734883725643158,0.5128205418586731,0.734883725643158,1.247704267501831,0.49180328845977783,0.5357142686843872,0.77060866355896,0.8363494873046875,0.7692307829856873,0.0,0.7692307829856873,0.7692307829856873,0.0,0.0,0.0,256,8,1.7158490206515714e-05,10,sum,11,,
-2,random,859,215,0.7998137802607076,0.20018621973929238,0.259604190919674,0.740395809080326,0.26046511627906976,0.7395348837209302,0.07692307692307693,0.9230769230769231,50,93,disabled e3 cell,0.5242400765419006,0.8465116024017334,0.6666666865348816,0.8465116024017334,1.5131783485412598,0.7674418687820435,0.5892857313156128,0.8693845272064209,0.8385428786277771,0.692307710647583,0.0,0.692307710647583,0.692307710647583,0.0,0.0,0.08333331346511841,256,8,1.7158490206515714e-05,10,sum,11,,
-2,random,859,215,0.7998137802607076,0.20018621973929238,0.259604190919674,0.740395809080326,0.26046511627906976,0.7395348837209302,0.07692307692307693,0.9230769230769231,50,93,disabled poi e3 cell,0.5866519808769226,0.8139534592628479,0.6078431606292725,0.8139534592628479,1.4217965602874756,0.6739130616188049,0.5535714030265808,0.8359726071357727,0.5615621209144592,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.3333333134651184,256,8,1.7158490206515714e-05,10,sum,11,,
-3,random,859,215,0.7998137802607076,0.20018621973929238,0.259604190919674,0.740395809080326,0.26046511627906976,0.7395348837209302,0.07692307692307693,0.9230769230769231,48,102,,0.41679617762565613,0.7906976938247681,0.6153846383094788,0.7906976938247681,1.4060823917388916,0.5901639461517334,0.6428571343421936,0.8757861852645874,0.5150686502456665,0.7692307829856873,0.0,0.7692307829856873,0.7692307829856873,0.0,0.0,0.1666666865348816,256,8,1.5482898046444993e-05,50,sum,13,,
-3,random,859,215,0.7998137802607076,0.20018621973929238,0.259604190919674,0.740395809080326,0.26046511627906976,0.7395348837209302,0.07692307692307693,0.9230769230769231,48,102,disabled poi,0.5474916100502014,0.8139534592628479,0.6551724076271057,0.8139534592628479,1.4691258668899536,0.6333333253860474,0.6785714030265808,0.8779761791229248,0.6814877986907959,0.9230769276618958,0.0,0.9230769276618958,0.9230769276618958,0.0,0.0,0.1666666865348816,256,8,1.5482898046444993e-05,50,sum,13,,
-3,random,859,215,0.7998137802607076,0.20018621973929238,0.259604190919674,0.740395809080326,0.26046511627906976,0.7395348837209302,0.07692307692307693,0.9230769230769231,48,102,disabled cell,0.5516588687896729,0.804651141166687,0.6315789222717285,0.804651141166687,1.4362300634384155,0.6206896305084229,0.6428571343421936,0.8759546279907227,0.6311317086219788,0.9230769276618958,0.0,0.9230769276618958,0.9230769276618958,0.0,0.0,0.08333331346511841,256,8,1.5482898046444993e-05,50,sum,13,,
-3,random,859,215,0.7998137802607076,0.20018621973929238,0.259604190919674,0.740395809080326,0.26046511627906976,0.7395348837209302,0.07692307692307693,0.9230769230769231,48,102,disabled smiles,0.49910083413124084,0.7674418687820435,0.6478873491287231,0.7674418687820435,1.4153292179107666,0.5348837375640869,0.8214285969734192,0.8485512137413025,0.9047145843505859,0.692307710647583,0.0,0.692307710647583,0.692307710647583,0.0,0.0,0.0,256,8,1.5482898046444993e-05,50,sum,13,,
-3,random,859,215,0.7998137802607076,0.20018621973929238,0.259604190919674,0.740395809080326,0.26046511627906976,0.7395348837209302,0.07692307692307693,0.9230769230769231,48,102,disabled e3 cell,0.5144546031951904,0.8093023300170898,0.6371681690216064,0.8093023300170898,1.4464704990386963,0.6315789222717285,0.6428571343421936,0.8820192813873291,0.832341730594635,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.08333331346511841,256,8,1.5482898046444993e-05,50,sum,13,,
-3,random,859,215,0.7998137802607076,0.20018621973929238,0.259604190919674,0.740395809080326,0.26046511627906976,0.7395348837209302,0.07692307692307693,0.9230769230769231,48,102,disabled poi e3 cell,0.5560487508773804,0.800000011920929,0.6386554837226868,0.800000011920929,1.4386554956436157,0.60317462682724,0.6785714030265808,0.8801661729812622,0.7163054943084717,0.7692307829856873,0.0,0.7692307829856873,0.7692307829856873,0.0,0.0,0.25,256,8,1.5482898046444993e-05,50,sum,13,,
-4,random,860,214,0.8007448789571695,0.19925512104283055,0.26046511627906976,0.7395348837209302,0.2570093457943925,0.7429906542056075,0.07692307692307693,0.9230769230769231,43,108,,0.35483697056770325,0.8457943797111511,0.6972476840019226,0.8457943797111511,1.5430420637130737,0.7037037014961243,0.6909090876579285,0.9104059934616089,0.5907447338104248,0.9230769276618958,0.0,0.9230769276618958,0.9230769276618958,0.0,0.0,0.08333331346511841,512,32,3.4552077968195374e-05,10,concat,3,,
-4,random,860,214,0.8007448789571695,0.19925512104283055,0.26046511627906976,0.7395348837209302,0.2570093457943925,0.7429906542056075,0.07692307692307693,0.9230769230769231,43,108,disabled poi,0.5032557249069214,0.8177570104598999,0.7022900581359863,0.8177570104598999,1.5200470685958862,0.6052631735801697,0.8363636136054993,0.9181245565414429,0.546604573726654,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.1666666865348816,512,32,3.4552077968195374e-05,10,concat,3,,
-4,random,860,214,0.8007448789571695,0.19925512104283055,0.26046511627906976,0.7395348837209302,0.2570093457943925,0.7429906542056075,0.07692307692307693,0.9230769230769231,43,108,disabled cell,0.4198215901851654,0.84112149477005,0.7017543911933899,0.84112149477005,1.54287588596344,0.6779661178588867,0.7272727489471436,0.9177243709564209,0.6960287690162659,0.9230769276618958,0.0,0.9230769276618958,0.9230769276618958,0.0,0.0,0.08333331346511841,512,32,3.4552077968195374e-05,10,concat,3,,
-4,random,860,214,0.8007448789571695,0.19925512104283055,0.26046511627906976,0.7395348837209302,0.2570093457943925,0.7429906542056075,0.07692307692307693,0.9230769230769231,43,108,disabled smiles,0.48938748240470886,0.7196261882781982,0.625,0.7196261882781982,1.3446261882781982,0.4761904776096344,0.9090909361839294,0.8762721419334412,1.0626423358917236,0.692307710647583,0.0,0.692307710647583,0.692307710647583,0.0,0.0,0.0,512,32,3.4552077968195374e-05,10,concat,3,,
-4,random,860,214,0.8007448789571695,0.19925512104283055,0.26046511627906976,0.7395348837209302,0.2570093457943925,0.7429906542056075,0.07692307692307693,0.9230769230769231,43,108,disabled e3 cell,0.3929388225078583,0.822429895401001,0.6607142686843872,0.822429895401001,1.4831441640853882,0.6491228342056274,0.6727272868156433,0.9187535643577576,0.8007612824440002,0.9230769276618958,0.0,0.9230769276618958,0.9230769276618958,0.0,0.0,0.08333331346511841,512,32,3.4552077968195374e-05,10,concat,3,,
-4,random,860,214,0.8007448789571695,0.19925512104283055,0.26046511627906976,0.7395348837209302,0.2570093457943925,0.7429906542056075,0.07692307692307693,0.9230769230769231,43,108,disabled poi e3 cell,0.4956589341163635,0.84112149477005,0.725806474685669,0.84112149477005,1.5669279098510742,0.6521739363670349,0.8181818127632141,0.903030276298523,0.8746379017829895,0.692307710647583,0.0,0.692307710647583,0.692307710647583,0.0,0.0,0.08333331346511841,512,32,3.4552077968195374e-05,10,concat,3,,
-0,uniprot,893,181,0.8314711359404097,0.1685288640595903,0.28331466965285557,0.7166853303471444,0.143646408839779,0.856353591160221,0.07692307692307693,0.9230769230769231,0,20,,0.47579964995384216,0.7679557800292969,0.27586206793785095,0.7679557800292969,1.0438178777694702,0.25,0.3076923191547394,0.6622828841209412,0.5771664381027222,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.08333331346511841,256,8,1.6639450307074626e-05,10,sum,9,55.0,10.0
-0,uniprot,893,181,0.8314711359404097,0.1685288640595903,0.28331466965285557,0.7166853303471444,0.143646408839779,0.856353591160221,0.07692307692307693,0.9230769230769231,0,20,disabled poi,0.9085192680358887,0.6740331649780273,0.28915661573410034,0.6740331649780273,0.9631897807121277,0.21052631735801697,0.4615384638309479,0.6558312773704529,0.8443636298179626,0.5384615659713745,0.0,0.5384615659713745,0.5384615659713745,0.0,0.0,0.25,256,8,1.6639450307074626e-05,10,sum,9,55.0,10.0
-0,uniprot,893,181,0.8314711359404097,0.1685288640595903,0.28331466965285557,0.7166853303471444,0.143646408839779,0.856353591160221,0.07692307692307693,0.9230769230769231,0,20,disabled cell,0.6080957651138306,0.8066298365592957,0.3137255012989044,0.8066298365592957,1.1203553676605225,0.3199999928474426,0.3076923191547394,0.6910669803619385,0.8531198501586914,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.08333331346511841,256,8,1.6639450307074626e-05,10,sum,9,55.0,10.0
-0,uniprot,893,181,0.8314711359404097,0.1685288640595903,0.28331466965285557,0.7166853303471444,0.143646408839779,0.856353591160221,0.07692307692307693,0.9230769230769231,0,20,disabled smiles,0.4529878795146942,0.8453038930892944,0.06666667014360428,0.8453038930892944,0.9119705557823181,0.25,0.03846153989434242,0.6786600947380066,1.009590983390808,0.6153846383094788,0.0,0.6153846383094788,0.6153846383094788,0.0,0.0,0.0,256,8,1.6639450307074626e-05,10,sum,9,55.0,10.0
-0,uniprot,893,181,0.8314711359404097,0.1685288640595903,0.28331466965285557,0.7166853303471444,0.143646408839779,0.856353591160221,0.07692307692307693,0.9230769230769231,0,20,disabled e3 cell,0.6395640969276428,0.7790055274963379,0.25925925374031067,0.7790055274963379,1.0382647514343262,0.25,0.26923078298568726,0.622084379196167,0.9077745676040649,0.7692307829856873,0.0,0.7692307829856873,0.7692307829856873,0.0,0.0,0.1666666865348816,256,8,1.6639450307074626e-05,10,sum,9,55.0,10.0
-0,uniprot,893,181,0.8314711359404097,0.1685288640595903,0.28331466965285557,0.7166853303471444,0.143646408839779,0.856353591160221,0.07692307692307693,0.9230769230769231,0,20,disabled poi e3 cell,0.5683144330978394,0.8232043981552124,0.27272728085517883,0.8232043981552124,1.0959316492080688,0.3333333432674408,0.23076923191547394,0.6779155731201172,0.653068482875824,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.25,256,8,1.6639450307074626e-05,10,sum,9,55.0,10.0
-1,uniprot,876,198,0.8156424581005587,0.18435754189944134,0.2522831050228311,0.747716894977169,0.29292929292929293,0.7070707070707071,0.07692307692307693,0.9230769230769231,0,14,,0.7123596668243408,0.5909090638160706,0.22857142984867096,0.5909090638160706,0.8194804787635803,0.25531914830207825,0.2068965584039688,0.5226600766181946,0.5302007794380188,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.08333331346511841,256,32,2.2606260884759498e-05,20,sum,15,56.0,9.0
-1,uniprot,876,198,0.8156424581005587,0.18435754189944134,0.2522831050228311,0.747716894977169,0.29292929292929293,0.7070707070707071,0.07692307692307693,0.9230769230769231,0,14,disabled poi,1.2865607738494873,0.631313145160675,0.291262149810791,0.631313145160675,0.9225752949714661,0.3333333432674408,0.2586206793785095,0.5033251047134399,0.6069334745407104,0.9230769276618958,0.0,0.9230769276618958,0.9230769276618958,0.0,0.0,0.08333331346511841,256,32,2.2606260884759498e-05,20,sum,15,56.0,9.0
-1,uniprot,876,198,0.8156424581005587,0.18435754189944134,0.2522831050228311,0.747716894977169,0.29292929292929293,0.7070707070707071,0.07692307692307693,0.9230769230769231,0,14,disabled cell,1.2270426750183105,0.5858585834503174,0.24074074625968933,0.5858585834503174,0.8265993595123291,0.25999999046325684,0.22413793206214905,0.5054187774658203,0.7290331125259399,0.9230769276618958,0.0,0.9230769276618958,0.9230769276618958,0.0,0.0,0.08333331346511841,256,32,2.2606260884759498e-05,20,sum,15,56.0,9.0
-1,uniprot,876,198,0.8156424581005587,0.18435754189944134,0.2522831050228311,0.747716894977169,0.29292929292929293,0.7070707070707071,0.07692307692307693,0.9230769230769231,0,14,disabled smiles,1.16005277633667,0.5151515007019043,0.49473685026168823,0.5151515007019043,1.0098884105682373,0.35606059432029724,0.8103448152542114,0.689100980758667,0.8078880310058594,0.692307710647583,0.0,0.692307710647583,0.692307710647583,0.0,0.0,0.08333331346511841,256,32,2.2606260884759498e-05,20,sum,15,56.0,9.0
-1,uniprot,876,198,0.8156424581005587,0.18435754189944134,0.2522831050228311,0.747716894977169,0.29292929292929293,0.7070707070707071,0.07692307692307693,0.9230769230769231,0,14,disabled e3 cell,1.066915512084961,0.6212121248245239,0.3243243098258972,0.6212121248245239,0.9455364346504211,0.3396226465702057,0.3103448152542114,0.5850985050201416,0.8120582103729248,0.7692307829856873,0.0,0.7692307829856873,0.7692307829856873,0.0,0.0,0.08333331346511841,256,32,2.2606260884759498e-05,20,sum,15,56.0,9.0
-1,uniprot,876,198,0.8156424581005587,0.18435754189944134,0.2522831050228311,0.747716894977169,0.29292929292929293,0.7070707070707071,0.07692307692307693,0.9230769230769231,0,14,disabled poi e3 cell,1.1476876735687256,0.5707070827484131,0.24778760969638824,0.5707070827484131,0.8184946775436401,0.2545454502105713,0.24137930572032928,0.504802942276001,0.4227628707885742,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.4166666865348816,256,32,2.2606260884759498e-05,20,sum,15,56.0,9.0
-2,uniprot,1015,59,0.9450651769087524,0.05493482309124767,0.24433497536945814,0.7556650246305419,0.5254237288135594,0.4745762711864407,0.07692307692307693,0.9230769230769231,0,11,,0.6865949034690857,0.5762711763381958,0.4444444477558136,0.5762711763381958,1.020715594291687,0.7142857313156128,0.32258063554763794,0.6152073740959167,0.6092116832733154,0.9230769276618958,0.0,0.9230769276618958,0.9230769276618958,0.0,0.0,0.0,256,32,1.0340818456119602e-05,50,sum,6,56.0,9.0
-2,uniprot,1015,59,0.9450651769087524,0.05493482309124767,0.24433497536945814,0.7556650246305419,0.5254237288135594,0.4745762711864407,0.07692307692307693,0.9230769230769231,0,11,disabled poi,2.446431875228882,0.5593220591545105,0.2777777910232544,0.5593220591545105,0.8370998501777649,1.0,0.16129031777381897,0.6543779373168945,0.6524797081947327,0.9230769276618958,0.0,0.9230769276618958,0.9230769276618958,0.0,0.0,0.1666666865348816,256,32,1.0340818456119602e-05,50,sum,6,56.0,9.0
-2,uniprot,1015,59,0.9450651769087524,0.05493482309124767,0.24433497536945814,0.7556650246305419,0.5254237288135594,0.4745762711864407,0.07692307692307693,0.9230769230769231,0,11,disabled cell,2.640493154525757,0.5593220591545105,0.2777777910232544,0.5593220591545105,0.8370998501777649,1.0,0.16129031777381897,0.639976978302002,0.8857917785644531,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.08333331346511841,256,32,1.0340818456119602e-05,50,sum,6,56.0,9.0
-2,uniprot,1015,59,0.9450651769087524,0.05493482309124767,0.24433497536945814,0.7556650246305419,0.5254237288135594,0.4745762711864407,0.07692307692307693,0.9230769230769231,0,11,disabled smiles,1.241017460823059,0.5254237055778503,0.2222222238779068,0.5254237055778503,0.747645914554596,0.800000011920929,0.12903225421905518,0.5138248801231384,0.8566514253616333,0.7692307829856873,0.0,0.7692307829856873,0.7692307829856873,0.0,0.0,0.0,256,32,1.0340818456119602e-05,50,sum,6,56.0,9.0
-2,uniprot,1015,59,0.9450651769087524,0.05493482309124767,0.24433497536945814,0.7556650246305419,0.5254237288135594,0.4745762711864407,0.07692307692307693,0.9230769230769231,0,11,disabled e3 cell,2.004100799560547,0.5762711763381958,0.3243243098258972,0.5762711763381958,0.900595486164093,1.0,0.19354838132858276,0.6399769186973572,0.8348893523216248,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.08333331346511841,256,32,1.0340818456119602e-05,50,sum,6,56.0,9.0
-2,uniprot,1015,59,0.9450651769087524,0.05493482309124767,0.24433497536945814,0.7556650246305419,0.5254237288135594,0.4745762711864407,0.07692307692307693,0.9230769230769231,0,11,disabled poi e3 cell,2.017916679382324,0.5593220591545105,0.2777777910232544,0.5593220591545105,0.8370998501777649,1.0,0.16129031777381897,0.6699308156967163,0.6972747445106506,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.1666666865348816,256,32,1.0340818456119602e-05,50,sum,6,56.0,9.0
-3,uniprot,733,341,0.6824953445065177,0.31750465549348234,0.24829467939972716,0.7517053206002728,0.2844574780058651,0.7155425219941349,0.07692307692307693,0.9230769230769231,0,50,,0.5642170310020447,0.7243402004241943,0.17543859779834747,0.7243402004241943,0.8997787833213806,0.5882353186607361,0.10309278219938278,0.6492310762405396,0.4829959273338318,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.08333331346511841,256,32,1.9976077762120903e-05,10,sum,9,51.0,14.0
-3,uniprot,733,341,0.6824953445065177,0.31750465549348234,0.24829467939972716,0.7517053206002728,0.2844574780058651,0.7155425219941349,0.07692307692307693,0.9230769230769231,0,50,disabled poi,1.3754981756210327,0.6950146555900574,0.2777777910232544,0.6950146555900574,0.9727924466133118,0.42553192377090454,0.20618556439876556,0.6226972937583923,0.6908454298973083,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.08333331346511841,256,32,1.9976077762120903e-05,10,sum,9,51.0,14.0
-3,uniprot,733,341,0.6824953445065177,0.31750465549348234,0.24829467939972716,0.7517053206002728,0.2844574780058651,0.7155425219941349,0.07692307692307693,0.9230769230769231,0,50,disabled cell,1.3581739664077759,0.6656891703605652,0.26923078298568726,0.6656891703605652,0.9349199533462524,0.35593220591545105,0.2164948433637619,0.5777209401130676,0.6495101451873779,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.08333331346511841,256,32,1.9976077762120903e-05,10,sum,9,51.0,14.0
-3,uniprot,733,341,0.6824953445065177,0.31750465549348234,0.24829467939972716,0.7517053206002728,0.2844574780058651,0.7155425219941349,0.07692307692307693,0.9230769230769231,0,50,disabled smiles,0.7100331783294678,0.6187683343887329,0.38679245114326477,0.6187683343887329,1.0055607557296753,0.35652172565460205,0.42268040776252747,0.6899188756942749,0.7777208089828491,0.7692307829856873,0.0,0.7692307829856873,0.7692307829856873,0.0,0.0,0.0,256,32,1.9976077762120903e-05,10,sum,9,51.0,14.0
-3,uniprot,733,341,0.6824953445065177,0.31750465549348234,0.24829467939972716,0.7517053206002728,0.2844574780058651,0.7155425219941349,0.07692307692307693,0.9230769230769231,0,50,disabled e3 cell,1.1673898696899414,0.6539589166641235,0.2804878056049347,0.6539589166641235,0.9344466924667358,0.34328359365463257,0.23711340129375458,0.5983394980430603,0.6282546520233154,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.25,256,32,1.9976077762120903e-05,10,sum,9,51.0,14.0
-3,uniprot,733,341,0.6824953445065177,0.31750465549348234,0.24829467939972716,0.7517053206002728,0.2844574780058651,0.7155425219941349,0.07692307692307693,0.9230769230769231,0,50,disabled poi e3 cell,1.2260332107543945,0.6539589166641235,0.28915661573410034,0.6539589166641235,0.9431155323982239,0.3478260934352875,0.24742268025875092,0.6027758717536926,0.6553150415420532,0.7692307829856873,0.0,0.7692307829856873,0.7692307829856873,0.0,0.0,0.4166666865348816,256,32,1.9976077762120903e-05,10,sum,9,51.0,14.0
-4,uniprot,779,295,0.7253258845437617,0.2746741154562384,0.27214377406931967,0.7278562259306803,0.2271186440677966,0.7728813559322034,0.07692307692307693,0.9230769230769231,0,62,,0.6580609679222107,0.6677966117858887,0.40963855385780334,0.6677966117858887,1.0774351358413696,0.34343433380126953,0.5074626803398132,0.6698415279388428,0.5049968957901001,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.1666666865348816,512,32,2.412512495496852e-05,50,concat,10,42.0,23.0
-4,uniprot,779,295,0.7253258845437617,0.2746741154562384,0.27214377406931967,0.7278562259306803,0.2271186440677966,0.7728813559322034,0.07692307692307693,0.9230769230769231,0,62,disabled poi,0.8095499277114868,0.7254237532615662,0.41726619005203247,0.7254237532615662,1.1426899433135986,0.4027777910232544,0.43283581733703613,0.6811665296554565,0.4195422828197479,0.9230769276618958,0.0,0.9230769276618958,0.9230769276618958,0.0,0.0,0.3333333134651184,512,32,2.412512495496852e-05,50,concat,10,42.0,23.0
-4,uniprot,779,295,0.7253258845437617,0.2746741154562384,0.27214377406931967,0.7278562259306803,0.2271186440677966,0.7728813559322034,0.07692307692307693,0.9230769230769231,0,62,disabled cell,1.0519499778747559,0.6033898591995239,0.4292683005332947,0.6033898591995239,1.0326581001281738,0.3188405930995941,0.6567164063453674,0.6484682559967041,0.7771484851837158,0.692307710647583,0.0,0.692307710647583,0.692307710647583,0.0,0.0,0.1666666865348816,512,32,2.412512495496852e-05,50,concat,10,42.0,23.0
-4,uniprot,779,295,0.7253258845437617,0.2746741154562384,0.27214377406931967,0.7278562259306803,0.2271186440677966,0.7728813559322034,0.07692307692307693,0.9230769230769231,0,62,disabled smiles,0.6414768099784851,0.7050847411155701,0.5297297239303589,0.7050847411155701,1.2348144054412842,0.41525423526763916,0.7313432693481445,0.7439119815826416,0.7448120713233948,0.7692307829856873,0.0,0.7692307829856873,0.7692307829856873,0.0,0.0,0.08333331346511841,512,32,2.412512495496852e-05,50,concat,10,42.0,23.0
-4,uniprot,779,295,0.7253258845437617,0.2746741154562384,0.27214377406931967,0.7278562259306803,0.2271186440677966,0.7728813559322034,0.07692307692307693,0.9230769230769231,0,62,disabled e3 cell,0.8528874516487122,0.698305070400238,0.3776223659515381,0.698305070400238,1.075927495956421,0.3552631437778473,0.4029850661754608,0.6526577472686768,0.6218200325965881,0.9230769276618958,0.0,0.9230769276618958,0.9230769276618958,0.0,0.0,0.1666666865348816,512,32,2.412512495496852e-05,50,concat,10,42.0,23.0
-4,uniprot,779,295,0.7253258845437617,0.2746741154562384,0.27214377406931967,0.7278562259306803,0.2271186440677966,0.7728813559322034,0.07692307692307693,0.9230769230769231,0,62,disabled poi e3 cell,0.815190851688385,0.7084745764732361,0.44871795177459717,0.7084745764732361,1.1571924686431885,0.3932584226131439,0.5223880410194397,0.6760277152061462,0.49692216515541077,0.9230769276618958,0.0,0.9230769276618958,0.9230769276618958,0.0,0.0,0.1666666865348816,512,32,2.412512495496852e-05,50,concat,10,42.0,23.0
-0,tanimoto,1037,37,0.9655493482309124,0.03445065176908752,0.26422372227579555,0.7357762777242044,0.13513513513513514,0.8648648648648649,0.07692307692307693,0.9230769230769231,15,0,,0.4539102017879486,0.8648648858070374,0.5454545617103577,0.8648648858070374,1.410319447517395,0.5,0.6000000238418579,0.6343750357627869,0.6441014409065247,0.7692307829856873,0.0,0.7692307829856873,0.7692307829856873,0.0,0.0,0.08333331346511841,512,8,1.1028121947524758e-05,50,sum,3,29.0,3.0
-0,tanimoto,1037,37,0.9655493482309124,0.03445065176908752,0.26422372227579555,0.7357762777242044,0.13513513513513514,0.8648648648648649,0.07692307692307693,0.9230769230769231,15,0,disabled poi,0.6329229474067688,0.8648648858070374,0.2857142984867096,0.8648648858070374,1.1505792140960693,0.5,0.20000000298023224,0.5687500238418579,0.5855710506439209,0.9230769276618958,0.0,0.9230769276618958,0.9230769276618958,0.0,0.0,0.1666666865348816,512,8,1.1028121947524758e-05,50,sum,3,29.0,3.0
-0,tanimoto,1037,37,0.9655493482309124,0.03445065176908752,0.26422372227579555,0.7357762777242044,0.13513513513513514,0.8648648648648649,0.07692307692307693,0.9230769230769231,15,0,disabled cell,0.48903945088386536,0.9189189076423645,0.6666666865348816,0.9189189076423645,1.585585594177246,0.75,0.6000000238418579,0.6062500476837158,0.760690450668335,0.9230769276618958,0.0,0.9230769276618958,0.9230769276618958,0.0,0.0,0.08333331346511841,512,8,1.1028121947524758e-05,50,sum,3,29.0,3.0
-0,tanimoto,1037,37,0.9655493482309124,0.03445065176908752,0.26422372227579555,0.7357762777242044,0.13513513513513514,0.8648648648648649,0.07692307692307693,0.9230769230769231,15,0,disabled smiles,0.46665284037590027,0.7567567825317383,0.4000000059604645,0.7567567825317383,1.1567567586898804,0.30000001192092896,0.6000000238418579,0.7718750238418579,0.9197722673416138,0.692307710647583,0.0,0.692307710647583,0.692307710647583,0.0,0.0,0.0,512,8,1.1028121947524758e-05,50,sum,3,29.0,3.0
-0,tanimoto,1037,37,0.9655493482309124,0.03445065176908752,0.26422372227579555,0.7357762777242044,0.13513513513513514,0.8648648648648649,0.07692307692307693,0.9230769230769231,15,0,disabled e3 cell,0.47560396790504456,0.9189189076423645,0.6666666865348816,0.9189189076423645,1.585585594177246,0.75,0.6000000238418579,0.6031250357627869,0.8391562104225159,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.08333331346511841,512,8,1.1028121947524758e-05,50,sum,3,29.0,3.0
-0,tanimoto,1037,37,0.9655493482309124,0.03445065176908752,0.26422372227579555,0.7357762777242044,0.13513513513513514,0.8648648648648649,0.07692307692307693,0.9230769230769231,15,0,disabled poi e3 cell,0.5829306244850159,0.8648648858070374,0.5454545617103577,0.8648648858070374,1.410319447517395,0.5,0.6000000238418579,0.6062500476837158,0.8300686478614807,0.7692307829856873,0.0,0.7692307829856873,0.7692307829856873,0.0,0.0,0.1666666865348816,512,8,1.1028121947524758e-05,50,sum,3,29.0,3.0
-1,tanimoto,886,188,0.8249534450651769,0.1750465549348231,0.2528216704288939,0.7471783295711061,0.2925531914893617,0.7074468085106383,0.07692307692307693,0.9230769230769231,34,0,,0.5787479281425476,0.7127659320831299,0.3863636255264282,0.7127659320831299,1.099129557609558,0.5151515007019043,0.30909091234207153,0.771701991558075,0.516496479511261,0.9230769276618958,0.0,0.9230769276618958,0.9230769276618958,0.0,0.0,0.08333331346511841,768,32,1.2879830450322809e-05,50,sum,10,29.0,3.0
-1,tanimoto,886,188,0.8249534450651769,0.1750465549348231,0.2528216704288939,0.7471783295711061,0.2925531914893617,0.7074468085106383,0.07692307692307693,0.9230769230769231,34,0,disabled poi,0.8459327220916748,0.75,0.49462366104125977,0.75,1.2446236610412598,0.6052631735801697,0.41818180680274963,0.7802460193634033,0.40606483817100525,0.9230769276618958,0.0,0.9230769276618958,0.9230769276618958,0.0,0.0,0.3333333134651184,768,32,1.2879830450322809e-05,50,sum,10,29.0,3.0
-1,tanimoto,886,188,0.8249534450651769,0.1750465549348231,0.2528216704288939,0.7471783295711061,0.2925531914893617,0.7074468085106383,0.07692307692307693,0.9230769230769231,34,0,disabled cell,0.8322314620018005,0.728723406791687,0.49504950642585754,0.728723406791687,1.2237728834152222,0.54347825050354,0.4545454680919647,0.778127133846283,0.5512571930885315,0.9230769276618958,0.0,0.9230769276618958,0.9230769276618958,0.0,0.0,0.1666666865348816,768,32,1.2879830450322809e-05,50,sum,10,29.0,3.0
-1,tanimoto,886,188,0.8249534450651769,0.1750465549348231,0.2528216704288939,0.7471783295711061,0.2925531914893617,0.7074468085106383,0.07692307692307693,0.9230769230769231,34,0,disabled smiles,0.6992961168289185,0.6808510422706604,0.3877550959587097,0.6808510422706604,1.0686061382293701,0.44186046719551086,0.34545454382896423,0.6927545666694641,0.7478812336921692,0.692307710647583,0.0,0.692307710647583,0.692307710647583,0.0,0.0,0.0,768,32,1.2879830450322809e-05,50,sum,10,29.0,3.0
-1,tanimoto,886,188,0.8249534450651769,0.1750465549348231,0.2528216704288939,0.7471783295711061,0.2925531914893617,0.7074468085106383,0.07692307692307693,0.9230769230769231,34,0,disabled e3 cell,0.8134555220603943,0.7393617033958435,0.5242718458175659,0.7393617033958435,1.2636334896087646,0.5625,0.4909090995788574,0.7792207598686218,0.4741816818714142,0.9230769276618958,0.0,0.9230769276618958,0.9230769276618958,0.0,0.0,0.25,768,32,1.2879830450322809e-05,50,sum,10,29.0,3.0
-1,tanimoto,886,188,0.8249534450651769,0.1750465549348231,0.2528216704288939,0.7471783295711061,0.2925531914893617,0.7074468085106383,0.07692307692307693,0.9230769230769231,34,0,disabled poi e3 cell,0.846601665019989,0.7340425252914429,0.45652174949645996,0.7340425252914429,1.1905642747879028,0.5675675868988037,0.38181817531585693,0.7773752212524414,0.5460445284843445,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.1666666865348816,768,32,1.2879830450322809e-05,50,sum,10,29.0,3.0
-2,tanimoto,888,186,0.8268156424581006,0.17318435754189945,0.25788288288288286,0.7421171171171171,0.26881720430107525,0.7311827956989247,0.07692307692307693,0.9230769230769231,35,0,,0.4111858010292053,0.7956989407539368,0.6041666865348816,0.7956989407539368,1.3998656272888184,0.6304348111152649,0.5799999833106995,0.8547059297561646,0.5483922362327576,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.0,256,8,1.2471727259362935e-05,20,sum,7,25.0,7.0
-2,tanimoto,888,186,0.8268156424581006,0.17318435754189945,0.25788288288288286,0.7421171171171171,0.26881720430107525,0.7311827956989247,0.07692307692307693,0.9230769230769231,35,0,disabled poi,0.6244044899940491,0.8225806355476379,0.6024096608161926,0.8225806355476379,1.4249902963638306,0.7575757503509521,0.5,0.8349999785423279,0.6883589625358582,0.9230769276618958,0.0,0.9230769276618958,0.9230769276618958,0.0,0.0,0.08333331346511841,256,8,1.2471727259362935e-05,20,sum,7,25.0,7.0
-2,tanimoto,888,186,0.8268156424581006,0.17318435754189945,0.25788288288288286,0.7421171171171171,0.26881720430107525,0.7311827956989247,0.07692307692307693,0.9230769230769231,35,0,disabled cell,0.6352194547653198,0.7473118305206299,0.5765765905380249,0.7473118305206299,1.3238884210586548,0.5245901346206665,0.6399999856948853,0.8258823156356812,0.9071365594863892,0.7692307829856873,0.0,0.7692307829856873,0.7692307829856873,0.0,0.0,0.08333331346511841,256,8,1.2471727259362935e-05,20,sum,7,25.0,7.0
-2,tanimoto,888,186,0.8268156424581006,0.17318435754189945,0.25788288288288286,0.7421171171171171,0.26881720430107525,0.7311827956989247,0.07692307692307693,0.9230769230769231,35,0,disabled smiles,0.4744677245616913,0.7795698642730713,0.630630612373352,0.7795698642730713,1.4102004766464233,0.5737704634666443,0.699999988079071,0.8105146884918213,0.6640232801437378,0.7692307829856873,0.0,0.7692307829856873,0.7692307829856873,0.0,0.0,0.08333331346511841,256,8,1.2471727259362935e-05,20,sum,7,25.0,7.0
-2,tanimoto,888,186,0.8268156424581006,0.17318435754189945,0.25788288288288286,0.7421171171171171,0.26881720430107525,0.7311827956989247,0.07692307692307693,0.9230769230769231,35,0,disabled e3 cell,0.5691996216773987,0.7795698642730713,0.5591397881507874,0.7795698642730713,1.3387095928192139,0.604651153087616,0.5199999809265137,0.8379411697387695,0.7511903047561646,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.08333331346511841,256,8,1.2471727259362935e-05,20,sum,7,25.0,7.0
-2,tanimoto,888,186,0.8268156424581006,0.17318435754189945,0.25788288288288286,0.7421171171171171,0.26881720430107525,0.7311827956989247,0.07692307692307693,0.9230769230769231,35,0,disabled poi e3 cell,0.6174498796463013,0.7580645084381104,0.5263158082962036,0.7580645084381104,1.284380316734314,0.5555555820465088,0.5,0.8127205967903137,0.9096947312355042,0.692307710647583,0.0,0.692307710647583,0.692307710647583,0.0,0.0,0.08333331346511841,256,8,1.2471727259362935e-05,20,sum,7,25.0,7.0
-3,tanimoto,577,497,0.537243947858473,0.462756052141527,0.2530329289428076,0.7469670710571924,0.2676056338028169,0.7323943661971831,0.07692307692307693,0.9230769230769231,51,0,,0.5853415727615356,0.7323943376541138,0.3870967626571655,0.7323943376541138,1.1194911003112793,0.5,0.31578946113586426,0.6979467868804932,0.49641382694244385,0.9230769276618958,0.0,0.9230769276618958,0.9230769276618958,0.0,0.0,0.08333331346511841,512,8,1.6863473810115062e-05,10,sum,8,19.0,13.0
-3,tanimoto,577,497,0.537243947858473,0.462756052141527,0.2530329289428076,0.7469670710571924,0.2676056338028169,0.7323943661971831,0.07692307692307693,0.9230769230769231,51,0,disabled poi,0.702008068561554,0.7243461012840271,0.44081631302833557,0.7243461012840271,1.165162444114685,0.4821428656578064,0.4060150384902954,0.7095142006874084,0.3498064875602722,0.9230769276618958,0.0,0.9230769276618958,0.9230769276618958,0.0,0.0,0.5833333730697632,512,8,1.6863473810115062e-05,10,sum,8,19.0,13.0
-3,tanimoto,577,497,0.537243947858473,0.462756052141527,0.2530329289428076,0.7469670710571924,0.2676056338028169,0.7323943661971831,0.07692307692307693,0.9230769230769231,51,0,disabled cell,0.6819108128547668,0.7344064116477966,0.3888888955116272,0.7344064116477966,1.1232953071594238,0.5060241222381592,0.31578946113586426,0.7102681398391724,0.5055682063102722,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.25,512,8,1.6863473810115062e-05,10,sum,8,19.0,13.0
-3,tanimoto,577,497,0.537243947858473,0.462756052141527,0.2530329289428076,0.7469670710571924,0.2676056338028169,0.7323943661971831,0.07692307692307693,0.9230769230769231,51,0,disabled smiles,0.5684022307395935,0.649899423122406,0.47590360045433044,0.649899423122406,1.125802993774414,0.39698493480682373,0.5939849615097046,0.7552570104598999,0.750748872756958,0.7692307829856873,0.0,0.7692307829856873,0.7692307829856873,0.0,0.0,0.08333331346511841,512,8,1.6863473810115062e-05,10,sum,8,19.0,13.0
-3,tanimoto,577,497,0.537243947858473,0.462756052141527,0.2530329289428076,0.7469670710571924,0.2676056338028169,0.7323943661971831,0.07692307692307693,0.9230769230769231,51,0,disabled e3 cell,0.7576305270195007,0.7625754475593567,0.3655914068222046,0.7625754475593567,1.128166913986206,0.6415094137191772,0.25563910603523254,0.7095038890838623,0.6575158834457397,0.9230769276618958,0.0,0.9230769276618958,0.9230769276618958,0.0,0.0,0.08333331346511841,512,8,1.6863473810115062e-05,10,sum,8,19.0,13.0
-3,tanimoto,577,497,0.537243947858473,0.462756052141527,0.2530329289428076,0.7469670710571924,0.2676056338028169,0.7323943661971831,0.07692307692307693,0.9230769230769231,51,0,disabled poi e3 cell,0.7262165546417236,0.7243461012840271,0.37442922592163086,0.7243461012840271,1.0987753868103027,0.4767441749572754,0.308270663022995,0.6717652678489685,0.3882024586200714,0.9230769276618958,0.0,0.9230769276618958,0.9230769276618958,0.0,0.0,0.3333333134651184,512,8,1.6863473810115062e-05,10,sum,8,19.0,13.0
-4,tanimoto,908,166,0.845437616387337,0.15456238361266295,0.26762114537444937,0.7323788546255506,0.21686746987951808,0.7831325301204819,0.07692307692307693,0.9230769230769231,34,0,,0.5544081330299377,0.6987951993942261,0.4444444477558136,0.6987951993942261,1.1432396173477173,0.37037035822868347,0.5555555820465088,0.7145298719406128,0.6150968670845032,0.7692307829856873,0.0,0.7692307829856873,0.7692307829856873,0.0,0.0,0.0,256,32,1.6511268989469565e-05,50,concat,15,26.0,6.0
-4,tanimoto,908,166,0.845437616387337,0.15456238361266295,0.26762114537444937,0.7323788546255506,0.21686746987951808,0.7831325301204819,0.07692307692307693,0.9230769230769231,34,0,disabled poi,1.0085411071777344,0.7469879388809204,0.4749999940395355,0.7469879388809204,1.2219879627227783,0.4318181872367859,0.5277777910232544,0.6928418874740601,0.6267193555831909,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.25,256,32,1.6511268989469565e-05,50,concat,15,26.0,6.0
-4,tanimoto,908,166,0.845437616387337,0.15456238361266295,0.26762114537444937,0.7323788546255506,0.21686746987951808,0.7831325301204819,0.07692307692307693,0.9230769230769231,34,0,disabled cell,0.9217456579208374,0.7168674468994141,0.40506330132484436,0.7168674468994141,1.121930718421936,0.3720930218696594,0.4444444477558136,0.702136754989624,0.9922505617141724,0.7692307829856873,0.0,0.7692307829856873,0.7692307829856873,0.0,0.0,0.08333331346511841,256,32,1.6511268989469565e-05,50,concat,15,26.0,6.0
-4,tanimoto,908,166,0.845437616387337,0.15456238361266295,0.26762114537444937,0.7323788546255506,0.21686746987951808,0.7831325301204819,0.07692307692307693,0.9230769230769231,34,0,disabled smiles,0.5431756377220154,0.7108433842658997,0.5789473652839661,0.7108433842658997,1.2897907495498657,0.42307692766189575,0.9166666865348816,0.8194444179534912,0.9371957778930664,0.692307710647583,0.0,0.692307710647583,0.692307710647583,0.0,0.0,0.0,256,32,1.6511268989469565e-05,50,concat,15,26.0,6.0
-4,tanimoto,908,166,0.845437616387337,0.15456238361266295,0.26762114537444937,0.7323788546255506,0.21686746987951808,0.7831325301204819,0.07692307692307693,0.9230769230769231,34,0,disabled e3 cell,0.9514143466949463,0.7530120611190796,0.3692307770252228,0.7530120611190796,1.12224280834198,0.4137931168079376,0.3333333432674408,0.683226466178894,0.7928867340087891,0.9230769276618958,0.0,0.9230769276618958,0.9230769276618958,0.0,0.0,0.08333331346511841,256,32,1.6511268989469565e-05,50,concat,15,26.0,6.0
-4,tanimoto,908,166,0.845437616387337,0.15456238361266295,0.26762114537444937,0.7323788546255506,0.21686746987951808,0.7831325301204819,0.07692307692307693,0.9230769230769231,34,0,disabled poi e3 cell,1.0217132568359375,0.6927710771560669,0.4137931168079376,0.6927710771560669,1.1065641641616821,0.3529411852359772,0.5,0.6818375587463379,0.8954225778579712,0.692307710647583,0.0,0.692307710647583,0.692307710647583,0.0,0.0,0.08333331346511841,256,32,1.6511268989469565e-05,50,concat,15,26.0,6.0
-0,random,859,215,0.7998137802607076,0.20018621973929238,0.259604190919674,0.740395809080326,0.26046511627906976,0.7395348837209302,0.07692307692307693,0.9230769230769231,47,119,,0.3215236961841583,0.869767427444458,0.7543859481811523,0.869767427444458,1.6241533756256104,0.7413793206214905,0.7678571343421936,0.9350852966308594,0.6496391296386719,0.9230769276618958,0.0,0.9230769276618958,0.9230769276618958,0.0,0.0,0.08333331346511841,768,16,2.781093697926551e-05,50,sum,5,,
-0,random,859,215,0.7998137802607076,0.20018621973929238,0.259604190919674,0.740395809080326,0.26046511627906976,0.7395348837209302,0.07692307692307693,0.9230769230769231,47,119,disabled e3,0.32393136620521545,0.869767427444458,0.7543859481811523,0.869767427444458,1.6241533756256104,0.7413793206214905,0.7678571343421936,0.9340745806694031,0.6778536438941956,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.1666666865348816,768,16,2.781093697926551e-05,50,sum,5,,
-0,random,859,215,0.7998137802607076,0.20018621973929238,0.259604190919674,0.740395809080326,0.26046511627906976,0.7395348837209302,0.07692307692307693,0.9230769230769231,47,119,disabled poi e3 smiles,0.5362589359283447,0.739534854888916,0.6164383292198181,0.739534854888916,1.355973243713379,0.5,0.8035714030265808,0.8155884742736816,0.7018360495567322,0.6153846383094788,0.0,0.6153846383094788,0.6153846383094788,0.0,0.0,0.25,768,16,2.781093697926551e-05,50,sum,5,,
-1,random,859,215,0.7998137802607076,0.20018621973929238,0.259604190919674,0.740395809080326,0.26046511627906976,0.7395348837209302,0.07692307692307693,0.9230769230769231,47,102,,0.4059079587459564,0.804651141166687,0.671875,0.804651141166687,1.476526141166687,0.5972222089767456,0.7678571343421936,0.8793801069259644,0.5174589157104492,0.9230769276618958,0.0,0.9230769276618958,0.9230769276618958,0.0,0.0,0.08333331346511841,512,16,1.2587541334008064e-05,20,concat,12,,
-1,random,859,215,0.7998137802607076,0.20018621973929238,0.259604190919674,0.740395809080326,0.26046511627906976,0.7395348837209302,0.07692307692307693,0.9230769230769231,47,102,disabled e3,0.5725387334823608,0.8093023300170898,0.6666666865348816,0.8093023300170898,1.4759690761566162,0.611940324306488,0.7321428656578064,0.8764600157737732,0.7966634035110474,0.7692307829856873,0.0,0.7692307829856873,0.7692307829856873,0.0,0.0,0.08333331346511841,512,16,1.2587541334008064e-05,20,concat,12,,
-1,random,859,215,0.7998137802607076,0.20018621973929238,0.259604190919674,0.740395809080326,0.26046511627906976,0.7395348837209302,0.07692307692307693,0.9230769230769231,47,102,disabled poi e3 smiles,0.5672245621681213,0.7255814075469971,0.527999997138977,0.7255814075469971,1.2535814046859741,0.47826087474823,0.5892857313156128,0.7496069073677063,0.649062991142273,0.692307710647583,0.0,0.692307710647583,0.692307710647583,0.0,0.0,0.4166666865348816,512,16,1.2587541334008064e-05,20,concat,12,,
-2,random,859,215,0.7998137802607076,0.20018621973929238,0.259604190919674,0.740395809080326,0.26046511627906976,0.7395348837209302,0.07692307692307693,0.9230769230769231,50,93,,0.41872745752334595,0.8232558369636536,0.6041666865348816,0.8232558369636536,1.4274225234985352,0.7250000238418579,0.5178571343421936,0.846585750579834,0.5944604277610779,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.08333331346511841,256,16,2.7607419417585242e-05,10,sum,10,,
-2,random,859,215,0.7998137802607076,0.20018621973929238,0.259604190919674,0.740395809080326,0.26046511627906976,0.7395348837209302,0.07692307692307693,0.9230769230769231,50,93,disabled e3,0.6163740158081055,0.8372092843055725,0.6153846383094788,0.8372092843055725,1.4525939226150513,0.800000011920929,0.5,0.860961377620697,0.6324796676635742,0.9230769276618958,0.0,0.9230769276618958,0.9230769276618958,0.0,0.0,0.25,256,16,2.7607419417585242e-05,10,sum,10,,
-2,random,859,215,0.7998137802607076,0.20018621973929238,0.259604190919674,0.740395809080326,0.26046511627906976,0.7395348837209302,0.07692307692307693,0.9230769230769231,50,93,disabled poi e3 smiles,0.6166664361953735,0.7209302186965942,0.42307692766189575,0.7209302186965942,1.1440072059631348,0.4583333432674408,0.3928571343421936,0.6925538778305054,0.628477931022644,0.7692307829856873,0.0,0.7692307829856873,0.7692307829856873,0.0,0.0,0.25,256,16,2.7607419417585242e-05,10,sum,10,,
-3,random,859,215,0.7998137802607076,0.20018621973929238,0.259604190919674,0.740395809080326,0.26046511627906976,0.7395348837209302,0.07692307692307693,0.9230769230769231,48,102,,0.4293951690196991,0.8139534592628479,0.6000000238418579,0.8139534592628479,1.4139535427093506,0.6818181872367859,0.5357142686843872,0.8828616142272949,0.6692377924919128,0.9230769276618958,0.0,0.9230769276618958,0.9230769276618958,0.0,0.0,0.0,512,8,1.4372366012590655e-05,10,sum,14,,
-3,random,859,215,0.7998137802607076,0.20018621973929238,0.259604190919674,0.740395809080326,0.26046511627906976,0.7395348837209302,0.07692307692307693,0.9230769230769231,48,102,disabled e3,0.5781513452529907,0.800000011920929,0.656000018119812,0.800000011920929,1.4560000896453857,0.5942028760910034,0.7321428656578064,0.8754491806030273,0.7337735295295715,0.9230769276618958,0.0,0.9230769276618958,0.9230769276618958,0.0,0.0,0.08333331346511841,512,8,1.4372366012590655e-05,10,sum,14,,
-3,random,859,215,0.7998137802607076,0.20018621973929238,0.259604190919674,0.740395809080326,0.26046511627906976,0.7395348837209302,0.07692307692307693,0.9230769230769231,48,102,disabled poi e3 smiles,0.5760557055473328,0.7162790894508362,0.5343511700630188,0.7162790894508362,1.250630259513855,0.46666666865348816,0.625,0.7609500885009766,0.6781660318374634,0.692307710647583,0.0,0.692307710647583,0.692307710647583,0.0,0.0,0.25,512,8,1.4372366012590655e-05,10,sum,14,,
-4,random,860,214,0.8007448789571695,0.19925512104283055,0.26046511627906976,0.7395348837209302,0.2570093457943925,0.7429906542056075,0.07692307692307693,0.9230769230769231,43,108,,0.36973193287849426,0.8317757248878479,0.7142857313156128,0.8317757248878479,1.5460615158081055,0.6338028311729431,0.8181818127632141,0.9156661033630371,0.5074107646942139,0.9230769276618958,0.0,0.9230769276618958,0.9230769276618958,0.0,0.0,0.1666666865348816,512,8,1.3066739238053272e-05,10,sum,3,,
-4,random,860,214,0.8007448789571695,0.19925512104283055,0.26046511627906976,0.7395348837209302,0.2570093457943925,0.7429906542056075,0.07692307692307693,0.9230769230769231,43,108,disabled e3,0.4244591295719147,0.84112149477005,0.6909090876579285,0.84112149477005,1.5320305824279785,0.6909090876579285,0.6909090876579285,0.9176100492477417,0.8095293641090393,0.9230769276618958,0.0,0.9230769276618958,0.9230769276618958,0.0,0.0,0.08333331346511841,512,8,1.3066739238053272e-05,10,sum,3,,
-4,random,860,214,0.8007448789571695,0.19925512104283055,0.26046511627906976,0.7395348837209302,0.2570093457943925,0.7429906542056075,0.07692307692307693,0.9230769230769231,43,108,disabled poi e3 smiles,0.5480790734291077,0.7149532437324524,0.55474454164505,0.7149532437324524,1.2696977853775024,0.46341463923454285,0.6909090876579285,0.8041166663169861,0.6857670545578003,0.6153846383094788,0.0,0.6153846383094788,0.6153846383094788,0.0,0.0,0.25,512,8,1.3066739238053272e-05,10,sum,3,,
-0,uniprot,893,181,0.8314711359404097,0.1685288640595903,0.28331466965285557,0.7166853303471444,0.143646408839779,0.856353591160221,0.07692307692307693,0.9230769230769231,0,20,,0.5203443765640259,0.7679557800292969,0.27586206793785095,0.7679557800292969,1.0438178777694702,0.25,0.3076923191547394,0.6436724662780762,0.6601938009262085,0.7692307829856873,0.0,0.7692307829856873,0.7692307829856873,0.0,0.0,0.1666666865348816,256,8,1.9745230408590863e-05,10,concat,12,55.0,10.0
-0,uniprot,893,181,0.8314711359404097,0.1685288640595903,0.28331466965285557,0.7166853303471444,0.143646408839779,0.856353591160221,0.07692307692307693,0.9230769230769231,0,20,disabled e3,0.6672093272209167,0.8066298365592957,0.25531914830207825,0.8066298365592957,1.0619490146636963,0.2857142984867096,0.23076923191547394,0.589081883430481,0.7214789986610413,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.1666666865348816,256,8,1.9745230408590863e-05,10,concat,12,55.0,10.0
-0,uniprot,893,181,0.8314711359404097,0.1685288640595903,0.28331466965285557,0.7166853303471444,0.143646408839779,0.856353591160221,0.07692307692307693,0.9230769230769231,0,20,disabled poi e3 smiles,0.6153498888015747,0.8011049628257751,0.2800000011920929,0.8011049628257751,1.0811049938201904,0.2916666567325592,0.26923078298568726,0.618362307548523,0.7590295076370239,0.38461539149284363,0.0,0.38461539149284363,0.38461539149284363,0.0,0.0,0.25,256,8,1.9745230408590863e-05,10,concat,12,55.0,10.0
-1,uniprot,876,198,0.8156424581005587,0.18435754189944134,0.2522831050228311,0.747716894977169,0.29292929292929293,0.7070707070707071,0.07692307692307693,0.9230769230769231,0,14,,0.7295579314231873,0.5252525210380554,0.21666666865348816,0.5252525210380554,0.7419191598892212,0.20967741310596466,0.22413793206214905,0.509605884552002,0.5932934284210205,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.1666666865348816,256,16,1.6387132361522998e-05,10,sum,10,56.0,9.0
-1,uniprot,876,198,0.8156424581005587,0.18435754189944134,0.2522831050228311,0.747716894977169,0.29292929292929293,0.7070707070707071,0.07692307692307693,0.9230769230769231,0,14,disabled e3,1.2038720846176147,0.6111111044883728,0.34188035130500793,0.6111111044883728,0.9529914855957031,0.33898305892944336,0.3448275923728943,0.5459359884262085,0.5668825507164001,0.9230769276618958,0.0,0.9230769276618958,0.9230769276618958,0.0,0.0,0.1666666865348816,256,16,1.6387132361522998e-05,10,sum,10,56.0,9.0
-1,uniprot,876,198,0.8156424581005587,0.18435754189944134,0.2522831050228311,0.747716894977169,0.29292929292929293,0.7070707070707071,0.07692307692307693,0.9230769230769231,0,14,disabled poi e3 smiles,1.049838900566101,0.4343434274196625,0.46666666865348816,0.4343434274196625,0.9010100960731506,0.32236841320991516,0.8448275923728943,0.5923645496368408,0.7756994962692261,0.5384615659713745,0.0,0.5384615659713745,0.5384615659713745,0.0,0.0,0.25,256,16,1.6387132361522998e-05,10,sum,10,56.0,9.0
-2,uniprot,1015,59,0.9450651769087524,0.05493482309124767,0.24433497536945814,0.7556650246305419,0.5254237288135594,0.4745762711864407,0.07692307692307693,0.9230769230769231,0,11,,0.7085558176040649,0.5593220591545105,0.31578946113586426,0.5593220591545105,0.8751115202903748,0.8571428656578064,0.19354838132858276,0.5599077939987183,0.5887040495872498,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.0,256,32,1.0103135153865721e-05,50,sum,15,56.0,9.0
-2,uniprot,1015,59,0.9450651769087524,0.05493482309124767,0.24433497536945814,0.7556650246305419,0.5254237288135594,0.4745762711864407,0.07692307692307693,0.9230769230769231,0,11,disabled e3,2.0480339527130127,0.5593220591545105,0.2777777910232544,0.5593220591545105,0.8370998501777649,1.0,0.16129031777381897,0.7142857313156128,0.8009510040283203,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.1666666865348816,256,32,1.0103135153865721e-05,50,sum,15,56.0,9.0
-2,uniprot,1015,59,0.9450651769087524,0.05493482309124767,0.24433497536945814,0.7556650246305419,0.5254237288135594,0.4745762711864407,0.07692307692307693,0.9230769230769231,0,11,disabled poi e3 smiles,0.5862815380096436,0.7118644118309021,0.6666666865348816,0.7118644118309021,1.3785310983657837,0.8500000238418579,0.5483871102333069,0.8122119903564453,0.6556328535079956,0.692307710647583,0.0,0.692307710647583,0.692307710647583,0.0,0.0,0.25,256,32,1.0103135153865721e-05,50,sum,15,56.0,9.0
-3,uniprot,733,341,0.6824953445065177,0.31750465549348234,0.24829467939972716,0.7517053206002728,0.2844574780058651,0.7155425219941349,0.07692307692307693,0.9230769230769231,0,50,,0.5726946592330933,0.6862170100212097,0.251748263835907,0.6862170100212097,0.9379652738571167,0.3913043439388275,0.1855670064687729,0.6416680812835693,0.47274425625801086,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.08333331346511841,256,32,2.0925680568859366e-05,50,sum,5,51.0,14.0
-3,uniprot,733,341,0.6824953445065177,0.31750465549348234,0.24829467939972716,0.7517053206002728,0.2844574780058651,0.7155425219941349,0.07692307692307693,0.9230769230769231,0,50,disabled e3,1.2545249462127686,0.6920821070671082,0.24460431933403015,0.6920821070671082,0.9366863965988159,0.4047619104385376,0.17525772750377655,0.6244295835494995,0.6621216535568237,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.1666666865348816,256,32,2.0925680568859366e-05,50,sum,5,51.0,14.0
-3,uniprot,733,341,0.6824953445065177,0.31750465549348234,0.24829467939972716,0.7517053206002728,0.2844574780058651,0.7155425219941349,0.07692307692307693,0.9230769230769231,0,50,disabled poi e3 smiles,0.5368857979774475,0.7390029430389404,0.46706587076187134,0.7390029430389404,1.206068754196167,0.5571428537368774,0.4020618498325348,0.7402611374855042,0.5400059819221497,0.7692307829856873,0.0,0.7692307829856873,0.7692307829856873,0.0,0.0,0.3333333134651184,256,32,2.0925680568859366e-05,50,sum,5,51.0,14.0
-4,uniprot,779,295,0.7253258845437617,0.2746741154562384,0.27214377406931967,0.7278562259306803,0.2271186440677966,0.7728813559322034,0.07692307692307693,0.9230769230769231,0,62,,0.61033695936203,0.6847457885742188,0.38410595059394836,0.6847457885742188,1.0688517093658447,0.3452380895614624,0.43283581733703613,0.6426092982292175,0.5495498180389404,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.08333331346511841,256,8,1.5207640062695321e-05,50,sum,10,42.0,23.0
-4,uniprot,779,295,0.7253258845437617,0.2746741154562384,0.27214377406931967,0.7278562259306803,0.2271186440677966,0.7728813559322034,0.07692307692307693,0.9230769230769231,0,62,disabled e3,0.8632753491401672,0.68813556432724,0.35211268067359924,0.68813556432724,1.0402482748031616,0.3333333432674408,0.3731343150138855,0.6539342403411865,0.5117000937461853,0.9230769276618958,0.0,0.9230769276618958,0.9230769276618958,0.0,0.0,0.1666666865348816,256,8,1.5207640062695321e-05,50,sum,10,42.0,23.0
-4,uniprot,779,295,0.7253258845437617,0.2746741154562384,0.27214377406931967,0.7278562259306803,0.2271186440677966,0.7728813559322034,0.07692307692307693,0.9230769230769231,0,62,disabled poi e3 smiles,0.6578191518783569,0.7050847411155701,0.5492228269577026,0.7050847411155701,1.254307508468628,0.420634925365448,0.7910447716712952,0.7337981462478638,0.6738776564598083,0.692307710647583,0.0,0.692307710647583,0.692307710647583,0.0,0.0,0.3333333134651184,256,8,1.5207640062695321e-05,50,sum,10,42.0,23.0
-0,tanimoto,1037,37,0.9655493482309124,0.03445065176908752,0.26422372227579555,0.7357762777242044,0.13513513513513514,0.8648648648648649,0.07692307692307693,0.9230769230769231,15,0,,0.4237861633300781,0.8918918967247009,0.6000000238418579,0.8918918967247009,1.491891860961914,0.6000000238418579,0.6000000238418579,0.609375,0.6143733263015747,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.08333331346511841,256,8,2.2046801198870254e-05,10,sum,3,29.0,3.0
-0,tanimoto,1037,37,0.9655493482309124,0.03445065176908752,0.26422372227579555,0.7357762777242044,0.13513513513513514,0.8648648648648649,0.07692307692307693,0.9230769230769231,15,0,disabled e3,0.6059194803237915,0.8648648858070374,0.2857142984867096,0.8648648858070374,1.1505792140960693,0.5,0.20000000298023224,0.5968750715255737,0.7317867279052734,0.9230769276618958,0.0,0.9230769276618958,0.9230769276618958,0.0,0.0,0.08333331346511841,256,8,2.2046801198870254e-05,10,sum,3,29.0,3.0
-0,tanimoto,1037,37,0.9655493482309124,0.03445065176908752,0.26422372227579555,0.7357762777242044,0.13513513513513514,0.8648648648648649,0.07692307692307693,0.9230769230769231,15,0,disabled poi e3 smiles,0.6793048977851868,0.7027027010917664,0.42105263471603394,0.7027027010917664,1.1237553358078003,0.2857142984867096,0.800000011920929,0.746874988079071,0.6953856945037842,0.6153846383094788,0.0,0.6153846383094788,0.6153846383094788,0.0,0.0,0.3333333134651184,256,8,2.2046801198870254e-05,10,sum,3,29.0,3.0
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reports/cv_report_hparam_search_5-splits_active-and_fp224.csv

@@ -1,106 +0,0 @@
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-2,random,859,215,0.7998137802607076,0.20018621973929238,0.259604190919674,0.740395809080326,0.26046511627906976,0.7395348837209302,0.07692307692307693,0.9230769230769231,50,93,disabled poi,0.570442795753479,0.7441860437393188,0.5378151535987854,0.7441860437393188,1.282001256942749,0.5079365372657776,0.5714285969734192,0.7665656208992004,0.4729733169078827,0.6153846383094788,0.0,0.6153846383094788,0.6153846383094788,0.0,0.0,0.6666666269302368,512,8,3.49568990526669e-05,0.25101298562544694,sum,12,,
-2,random,859,215,0.7998137802607076,0.20018621973929238,0.259604190919674,0.740395809080326,0.26046511627906976,0.7395348837209302,0.07692307692307693,0.9230769230769231,50,93,disabled e3,0.5679744482040405,0.7255814075469971,0.5931034684181213,0.7255814075469971,1.3186848163604736,0.483146071434021,0.7678571343421936,0.8222147226333618,0.8528181910514832,0.692307710647583,0.0,0.692307710647583,0.692307710647583,0.0,0.0,0.1666666865348816,512,8,3.49568990526669e-05,0.25101298562544694,sum,12,,
-2,random,859,215,0.7998137802607076,0.20018621973929238,0.259604190919674,0.740395809080326,0.26046511627906976,0.7395348837209302,0.07692307692307693,0.9230769230769231,50,93,disabled cell,0.5158418416976929,0.7255814075469971,0.5123966932296753,0.7255814075469971,1.2379781007766724,0.4769230782985687,0.5535714030265808,0.7936882972717285,0.7155195474624634,0.7692307829856873,0.0,0.7692307829856873,0.7692307829856873,0.0,0.0,0.08333331346511841,512,8,3.49568990526669e-05,0.25101298562544694,sum,12,,
-2,random,859,215,0.7998137802607076,0.20018621973929238,0.259604190919674,0.740395809080326,0.26046511627906976,0.7395348837209302,0.07692307692307693,0.9230769230769231,50,93,disabled poi e3 smiles,0.6957535743713379,0.6139534711837769,0.4575163424015045,0.6139534711837769,1.071469783782959,0.36082473397254944,0.625,0.6777291297912598,0.7075004577636719,0.6153846383094788,0.0,0.6153846383094788,0.6153846383094788,0.0,0.0,0.25,512,8,3.49568990526669e-05,0.25101298562544694,sum,12,,
-2,random,859,215,0.7998137802607076,0.20018621973929238,0.259604190919674,0.740395809080326,0.26046511627906976,0.7395348837209302,0.07692307692307693,0.9230769230769231,50,93,disabled poi e3 cell,0.5717788934707642,0.7023255825042725,0.4385964870452881,0.7023255825042725,1.1409220695495605,0.43103447556495667,0.4464285671710968,0.7104110717773438,0.4962698221206665,0.692307710647583,0.3333333432674408,0.692307710647583,1.0256410837173462,0.20000000298023224,1.0,1.0,512,8,3.49568990526669e-05,0.25101298562544694,sum,12,,
-3,random,859,215,0.7998137802607076,0.20018621973929238,0.259604190919674,0.740395809080326,0.26046511627906976,0.7395348837209302,0.07692307692307693,0.9230769230769231,48,102,,0.3992478549480438,0.8325581550598145,0.6842105388641357,0.8325581550598145,1.5167686939239502,0.6724137663841248,0.6964285969734192,0.9008311033248901,1.139338493347168,0.6153846383094788,0.0,0.6153846383094788,0.6153846383094788,0.0,0.0,0.08333331346511841,768,16,0.00016626628790334627,0.3353332291890718,concat,10,,
-3,random,859,215,0.7998137802607076,0.20018621973929238,0.259604190919674,0.740395809080326,0.26046511627906976,0.7395348837209302,0.07692307692307693,0.9230769230769231,48,102,disabled smiles,0.42620551586151123,0.7813953757286072,0.6299212574958801,0.7813953757286072,1.4113166332244873,0.5633803009986877,0.7142857313156128,0.849786639213562,0.7424725294113159,0.692307710647583,0.0,0.692307710647583,0.692307710647583,0.0,0.0,0.0,768,16,0.00016626628790334627,0.3353332291890718,concat,10,,
-3,random,859,215,0.7998137802607076,0.20018621973929238,0.259604190919674,0.740395809080326,0.26046511627906976,0.7395348837209302,0.07692307692307693,0.9230769230769231,48,102,disabled poi,0.5248979926109314,0.739534854888916,0.5882353186607361,0.739534854888916,1.3277702331542969,0.5,0.7142857313156128,0.8121630549430847,0.5067359209060669,0.6153846383094788,0.0,0.6153846383094788,0.6153846383094788,0.0,0.0,0.5833333730697632,768,16,0.00016626628790334627,0.3353332291890718,concat,10,,
-3,random,859,215,0.7998137802607076,0.20018621973929238,0.259604190919674,0.740395809080326,0.26046511627906976,0.7395348837209302,0.07692307692307693,0.9230769230769231,48,102,disabled e3,0.4217040240764618,0.7953488230705261,0.65625,0.7953488230705261,1.451598882675171,0.5833333134651184,0.75,0.8654537200927734,0.7679824829101562,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.0,768,16,0.00016626628790334627,0.3353332291890718,concat,10,,
-3,random,859,215,0.7998137802607076,0.20018621973929238,0.259604190919674,0.740395809080326,0.26046511627906976,0.7395348837209302,0.07692307692307693,0.9230769230769231,48,102,disabled cell,0.5048812627792358,0.734883725643158,0.5581395626068115,0.734883725643158,1.2930233478546143,0.4931506812572479,0.6428571343421936,0.816767692565918,0.762337327003479,0.692307710647583,0.0,0.692307710647583,0.692307710647583,0.0,0.0,0.0,768,16,0.00016626628790334627,0.3353332291890718,concat,10,,
-3,random,859,215,0.7998137802607076,0.20018621973929238,0.259604190919674,0.740395809080326,0.26046511627906976,0.7395348837209302,0.07692307692307693,0.9230769230769231,48,102,disabled poi e3 smiles,0.539603590965271,0.7255814075469971,0.5042017102241516,0.7255814075469971,1.229783058166504,0.4761904776096344,0.5357142686843872,0.7681379318237305,0.5685395002365112,0.692307710647583,0.0,0.692307710647583,0.692307710647583,0.0,0.0,0.25,768,16,0.00016626628790334627,0.3353332291890718,concat,10,,
-3,random,859,215,0.7998137802607076,0.20018621973929238,0.259604190919674,0.740395809080326,0.26046511627906976,0.7395348837209302,0.07692307692307693,0.9230769230769231,48,102,disabled poi e3 cell,0.5435433983802795,0.7162790894508362,0.4403669834136963,0.7162790894508362,1.1566460132598877,0.4528301954269409,0.4285714328289032,0.7158580422401428,0.5063707232475281,0.692307710647583,0.3333333432674408,0.692307710647583,1.0256410837173462,0.20000000298023224,1.0,0.75,768,16,0.00016626628790334627,0.3353332291890718,concat,10,,
-4,random,860,214,0.8007448789571695,0.19925512104283055,0.26046511627906976,0.7395348837209302,0.2570093457943925,0.7429906542056075,0.07692307692307693,0.9230769230769231,43,108,,0.49358317255973816,0.7850467562675476,0.6760563254356384,0.7850467562675476,1.461103081703186,0.5517241358757019,0.8727272748947144,0.9017152786254883,0.9740471243858337,0.692307710647583,0.0,0.692307710647583,0.692307710647583,0.0,0.0,0.25,768,32,0.00010610998947748223,0.13255113755129627,concat,6,,
-4,random,860,214,0.8007448789571695,0.19925512104283055,0.26046511627906976,0.7395348837209302,0.2570093457943925,0.7429906542056075,0.07692307692307693,0.9230769230769231,43,108,disabled smiles,0.41665762662887573,0.7663551568984985,0.6268656849861145,0.7663551568984985,1.3932209014892578,0.5316455960273743,0.7636363506317139,0.8742138147354126,0.8465439677238464,0.692307710647583,0.0,0.692307710647583,0.692307710647583,0.0,0.0,0.0,768,32,0.00010610998947748223,0.13255113755129627,concat,6,,
-4,random,860,214,0.8007448789571695,0.19925512104283055,0.26046511627906976,0.7395348837209302,0.2570093457943925,0.7429906542056075,0.07692307692307693,0.9230769230769231,43,108,disabled poi,0.5439196228981018,0.7523364424705505,0.6015037298202515,0.7523364424705505,1.3538401126861572,0.5128205418586731,0.7272727489471436,0.8032017946243286,0.34148794412612915,0.8461538553237915,0.5,0.8461538553237915,1.3461538553237915,0.3333333432674408,1.0,0.8333333134651184,768,32,0.00010610998947748223,0.13255113755129627,concat,6,,
-4,random,860,214,0.8007448789571695,0.19925512104283055,0.26046511627906976,0.7395348837209302,0.2570093457943925,0.7429906542056075,0.07692307692307693,0.9230769230769231,43,108,disabled e3,0.4362758696079254,0.7990654110908508,0.6814814805984497,0.7990654110908508,1.4805469512939453,0.574999988079071,0.8363636136054993,0.8715265989303589,0.6445645689964294,0.9230769276618958,0.0,0.9230769276618958,0.9230769276618958,0.0,0.0,0.0,768,32,0.00010610998947748223,0.13255113755129627,concat,6,,
-4,random,860,214,0.8007448789571695,0.19925512104283055,0.26046511627906976,0.7395348837209302,0.2570093457943925,0.7429906542056075,0.07692307692307693,0.9230769230769231,43,108,disabled cell,0.4599778354167938,0.7710280418395996,0.573913037776947,0.7710280418395996,1.3449411392211914,0.550000011920929,0.6000000238418579,0.8333333730697632,0.6404210329055786,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.0,768,32,0.00010610998947748223,0.13255113755129627,concat,6,,
-4,random,860,214,0.8007448789571695,0.19925512104283055,0.26046511627906976,0.7395348837209302,0.2570093457943925,0.7429906542056075,0.07692307692307693,0.9230769230769231,43,108,disabled poi e3 smiles,0.5333731174468994,0.7523364424705505,0.5826771855354309,0.7523364424705505,1.3350136280059814,0.5138888955116272,0.6727272868156433,0.8093767762184143,0.6337226033210754,0.6153846383094788,0.0,0.6153846383094788,0.6153846383094788,0.0,0.0,0.5833333730697632,768,32,0.00010610998947748223,0.13255113755129627,concat,6,,
-4,random,860,214,0.8007448789571695,0.19925512104283055,0.26046511627906976,0.7395348837209302,0.2570093457943925,0.7429906542056075,0.07692307692307693,0.9230769230769231,43,108,disabled poi e3 cell,0.6796397566795349,0.6214953064918518,0.5090909004211426,0.6214953064918518,1.1305861473083496,0.38181817531585693,0.7636363506317139,0.7198399305343628,0.6174545884132385,0.692307710647583,0.3333333432674408,0.692307710647583,1.0256410837173462,0.20000000298023224,1.0,0.9166666865348816,768,32,0.00010610998947748223,0.13255113755129627,concat,6,,
-0,uniprot,893,181,0.8314711359404097,0.1685288640595903,0.28331466965285557,0.7166853303471444,0.143646408839779,0.856353591160221,0.07692307692307693,0.9230769230769231,0,20,,0.4534050226211548,0.8342541456222534,0.1666666716337204,0.8342541456222534,1.0009207725524902,0.30000001192092896,0.11538461595773697,0.5960297584533691,0.8965493440628052,0.5384615659713745,0.0,0.5384615659713745,0.5384615659713745,0.0,0.0,0.0,256,32,0.00016772698652918868,0.6866810049303773,concat,11,55.0,10.0
-0,uniprot,893,181,0.8314711359404097,0.1685288640595903,0.28331466965285557,0.7166853303471444,0.143646408839779,0.856353591160221,0.07692307692307693,0.9230769230769231,0,20,disabled smiles,0.4177824556827545,0.8508287072181702,0.06896551698446274,0.8508287072181702,0.9197942018508911,0.3333333432674408,0.03846153989434242,0.6774193048477173,0.8900344371795654,0.692307710647583,0.0,0.692307710647583,0.692307710647583,0.0,0.0,0.0,256,32,0.00016772698652918868,0.6866810049303773,concat,11,55.0,10.0
-0,uniprot,893,181,0.8314711359404097,0.1685288640595903,0.28331466965285557,0.7166853303471444,0.143646408839779,0.856353591160221,0.07692307692307693,0.9230769230769231,0,20,disabled poi,0.7758087515830994,0.5248618721961975,0.1568627506494522,0.5248618721961975,0.6817246079444885,0.10526315867900848,0.3076923191547394,0.43821340799331665,0.7007104158401489,0.6153846383094788,0.0,0.6153846383094788,0.6153846383094788,0.0,0.0,0.4166666865348816,256,32,0.00016772698652918868,0.6866810049303773,concat,11,55.0,10.0
-0,uniprot,893,181,0.8314711359404097,0.1685288640595903,0.28331466965285557,0.7166853303471444,0.143646408839779,0.856353591160221,0.07692307692307693,0.9230769230769231,0,20,disabled e3,0.5676182508468628,0.7900552749633789,0.17391304671764374,0.7900552749633789,0.9639683365821838,0.20000000298023224,0.1538461595773697,0.48312652111053467,0.8851895928382874,0.5384615659713745,0.0,0.5384615659713745,0.5384615659713745,0.0,0.0,0.0,256,32,0.00016772698652918868,0.6866810049303773,concat,11,55.0,10.0
-0,uniprot,893,181,0.8314711359404097,0.1685288640595903,0.28331466965285557,0.7166853303471444,0.143646408839779,0.856353591160221,0.07692307692307693,0.9230769230769231,0,20,disabled cell,0.4642336964607239,0.8397790193557739,0.06451612710952759,0.8397790193557739,0.9042951464653015,0.20000000298023224,0.03846153989434242,0.5488834381103516,0.6462687849998474,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.0,256,32,0.00016772698652918868,0.6866810049303773,concat,11,55.0,10.0
-0,uniprot,893,181,0.8314711359404097,0.1685288640595903,0.28331466965285557,0.7166853303471444,0.143646408839779,0.856353591160221,0.07692307692307693,0.9230769230769231,0,20,disabled poi e3 smiles,0.66106116771698,0.7071823477745056,0.23188406229019165,0.7071823477745056,0.9390664100646973,0.1860465109348297,0.3076923191547394,0.5177419185638428,0.7892321944236755,0.4615384638309479,0.0,0.4615384638309479,0.4615384638309479,0.0,0.0,0.1666666865348816,256,32,0.00016772698652918868,0.6866810049303773,concat,11,55.0,10.0
-0,uniprot,893,181,0.8314711359404097,0.1685288640595903,0.28331466965285557,0.7166853303471444,0.143646408839779,0.856353591160221,0.07692307692307693,0.9230769230769231,0,20,disabled poi e3 cell,1.0046290159225464,0.37016573548316956,0.25974026322364807,0.37016573548316956,0.6299059987068176,0.15625,0.7692307829856873,0.5258064866065979,0.7846564054489136,0.4615384638309479,0.2222222238779068,0.4615384638309479,0.6837607026100159,0.125,1.0,0.9166666865348816,256,32,0.00016772698652918868,0.6866810049303773,concat,11,55.0,10.0
-1,uniprot,876,198,0.8156424581005587,0.18435754189944134,0.2522831050228311,0.747716894977169,0.29292929292929293,0.7070707070707071,0.07692307692307693,0.9230769230769231,0,14,,0.6912462115287781,0.5252525210380554,0.17543859779834747,0.5252525210380554,0.7006911039352417,0.1785714328289032,0.17241379618644714,0.42918717861175537,0.6349537372589111,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.0,256,8,2.0548745695200694e-05,0.7933600740191676,concat,14,56.0,9.0
-1,uniprot,876,198,0.8156424581005587,0.18435754189944134,0.2522831050228311,0.747716894977169,0.29292929292929293,0.7070707070707071,0.07692307692307693,0.9230769230769231,0,14,disabled smiles,1.0955744981765747,0.5101010203361511,0.48677247762680054,0.5101010203361511,0.9968734979629517,0.35114502906799316,0.7931034564971924,0.6424261331558228,0.7508934736251831,0.692307710647583,0.0,0.692307710647583,0.692307710647583,0.0,0.0,0.08333331346511841,256,8,2.0548745695200694e-05,0.7933600740191676,concat,14,56.0,9.0
-1,uniprot,876,198,0.8156424581005587,0.18435754189944134,0.2522831050228311,0.747716894977169,0.29292929292929293,0.7070707070707071,0.07692307692307693,0.9230769230769231,0,14,disabled poi,1.1455005407333374,0.4595959484577179,0.4512820541858673,0.4595959484577179,0.9108780026435852,0.32116788625717163,0.7586206793785095,0.4754926264286041,0.49092572927474976,0.6153846383094788,0.0,0.6153846383094788,0.6153846383094788,0.0,0.0,0.6666666269302368,256,8,2.0548745695200694e-05,0.7933600740191676,concat,14,56.0,9.0
-1,uniprot,876,198,0.8156424581005587,0.18435754189944134,0.2522831050228311,0.747716894977169,0.29292929292929293,0.7070707070707071,0.07692307692307693,0.9230769230769231,0,14,disabled e3,1.0935477018356323,0.46464645862579346,0.42391303181648254,0.46464645862579346,0.8885594606399536,0.3095238208770752,0.6724137663841248,0.5236453413963318,0.6788313984870911,0.692307710647583,0.0,0.692307710647583,0.692307710647583,0.0,0.0,0.0,256,8,2.0548745695200694e-05,0.7933600740191676,concat,14,56.0,9.0
-1,uniprot,876,198,0.8156424581005587,0.18435754189944134,0.2522831050228311,0.747716894977169,0.29292929292929293,0.7070707070707071,0.07692307692307693,0.9230769230769231,0,14,disabled cell,0.9266204237937927,0.4747474789619446,0.24637681245803833,0.4747474789619446,0.7211242914199829,0.21250000596046448,0.2931034564971924,0.49593597650527954,0.6411826014518738,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.08333331346511841,256,8,2.0548745695200694e-05,0.7933600740191676,concat,14,56.0,9.0
-1,uniprot,876,198,0.8156424581005587,0.18435754189944134,0.2522831050228311,0.747716894977169,0.29292929292929293,0.7070707070707071,0.07692307692307693,0.9230769230769231,0,14,disabled poi e3 smiles,1.0671687126159668,0.4595959484577179,0.5069124698638916,0.4595959484577179,0.9665083885192871,0.3459119498729706,0.9482758641242981,0.6092364192008972,0.7673556804656982,0.6153846383094788,0.0,0.6153846383094788,0.6153846383094788,0.0,0.0,0.1666666865348816,256,8,2.0548745695200694e-05,0.7933600740191676,concat,14,56.0,9.0
-1,uniprot,876,198,0.8156424581005587,0.18435754189944134,0.2522831050228311,0.747716894977169,0.29292929292929293,0.7070707070707071,0.07692307692307693,0.9230769230769231,0,14,disabled poi e3 cell,0.8992798924446106,0.4848484992980957,0.30136987566947937,0.4848484992980957,0.7862184047698975,0.25,0.37931033968925476,0.4283251166343689,0.603691816329956,0.6153846383094788,0.2857142984867096,0.6153846383094788,0.9010989665985107,0.1666666716337204,1.0,0.75,256,8,2.0548745695200694e-05,0.7933600740191676,concat,14,56.0,9.0
-2,uniprot,1015,59,0.9450651769087524,0.05493482309124767,0.24433497536945814,0.7556650246305419,0.5254237288135594,0.4745762711864407,0.07692307692307693,0.9230769230769231,0,11,,0.6937682628631592,0.4237288236618042,0.10526315867900848,0.4237288236618042,0.5289919972419739,0.2857142984867096,0.06451612710952759,0.578341007232666,0.6559783220291138,0.9230769276618958,0.0,0.9230769276618958,0.9230769276618958,0.0,0.0,0.1666666865348816,256,16,3.0967083712072556e-05,0.7825772188520063,sum,13,56.0,9.0
-2,uniprot,1015,59,0.9450651769087524,0.05493482309124767,0.24433497536945814,0.7556650246305419,0.5254237288135594,0.4745762711864407,0.07692307692307693,0.9230769230769231,0,11,disabled smiles,1.2339656352996826,0.47457626461982727,0.20512820780277252,0.47457626461982727,0.679704487323761,0.5,0.12903225421905518,0.4861751198768616,0.8462024331092834,0.692307710647583,0.0,0.692307710647583,0.692307710647583,0.0,0.0,0.0,256,16,3.0967083712072556e-05,0.7825772188520063,sum,13,56.0,9.0
-2,uniprot,1015,59,0.9450651769087524,0.05493482309124767,0.24433497536945814,0.7556650246305419,0.5254237288135594,0.4745762711864407,0.07692307692307693,0.9230769230769231,0,11,disabled poi,0.7302329540252686,0.6101694703102112,0.5660377144813538,0.6101694703102112,1.176207184791565,0.6818181872367859,0.4838709533214569,0.7050691246986389,0.5765672326087952,0.6153846383094788,0.2857142984867096,0.6153846383094788,0.9010989665985107,0.1666666716337204,1.0,0.9166666865348816,256,16,3.0967083712072556e-05,0.7825772188520063,sum,13,56.0,9.0
-2,uniprot,1015,59,0.9450651769087524,0.05493482309124767,0.24433497536945814,0.7556650246305419,0.5254237288135594,0.4745762711864407,0.07692307692307693,0.9230769230769231,0,11,disabled e3,1.285068392753601,0.49152541160583496,0.25,0.49152541160583496,0.741525411605835,0.5555555820465088,0.16129031777381897,0.6059907674789429,0.8408297300338745,0.692307710647583,0.0,0.692307710647583,0.692307710647583,0.0,0.0,0.0,256,16,3.0967083712072556e-05,0.7825772188520063,sum,13,56.0,9.0
-2,uniprot,1015,59,0.9450651769087524,0.05493482309124767,0.24433497536945814,0.7556650246305419,0.5254237288135594,0.4745762711864407,0.07692307692307693,0.9230769230769231,0,11,disabled cell,1.4776040315628052,0.508474588394165,0.21621622145175934,0.508474588394165,0.7246907949447632,0.6666666865348816,0.12903225421905518,0.4717741906642914,0.8470534086227417,0.7692307829856873,0.0,0.7692307829856873,0.7692307829856873,0.0,0.0,0.0,256,16,3.0967083712072556e-05,0.7825772188520063,sum,13,56.0,9.0
-2,uniprot,1015,59,0.9450651769087524,0.05493482309124767,0.24433497536945814,0.7556650246305419,0.5254237288135594,0.4745762711864407,0.07692307692307693,0.9230769230769231,0,11,disabled poi e3 smiles,0.5518052577972412,0.7288135886192322,0.7037037014961243,0.7288135886192322,1.4325172901153564,0.8260869383811951,0.6129032373428345,0.807603657245636,0.6270097494125366,0.6153846383094788,0.0,0.6153846383094788,0.6153846383094788,0.0,0.0,0.4166666865348816,256,16,3.0967083712072556e-05,0.7825772188520063,sum,13,56.0,9.0
-2,uniprot,1015,59,0.9450651769087524,0.05493482309124767,0.24433497536945814,0.7556650246305419,0.5254237288135594,0.4745762711864407,0.07692307692307693,0.9230769230769231,0,11,disabled poi e3 cell,0.9955587983131409,0.4237288236618042,0.260869562625885,0.4237288236618042,0.6845983862876892,0.4000000059604645,0.19354838132858276,0.5443547964096069,0.5360821485519409,0.7692307829856873,0.4000000059604645,0.7692307829856873,1.1692308187484741,0.25,1.0,0.8333333134651184,256,16,3.0967083712072556e-05,0.7825772188520063,sum,13,56.0,9.0
-3,uniprot,733,341,0.6824953445065177,0.31750465549348234,0.24829467939972716,0.7517053206002728,0.2844574780058651,0.7155425219941349,0.07692307692307693,0.9230769230769231,0,50,,0.6042519807815552,0.6158357858657837,0.3963133692741394,0.6158357858657837,1.0121490955352783,0.3583333194255829,0.44329896569252014,0.668582022190094,0.5024456977844238,0.9230769276618958,0.0,0.9230769276618958,0.9230769276618958,0.0,0.0,0.0,256,8,1.4271140003322025e-05,0.3010348015013539,concat,4,51.0,14.0
-3,uniprot,733,341,0.6824953445065177,0.31750465549348234,0.24829467939972716,0.7517053206002728,0.2844574780058651,0.7155425219941349,0.07692307692307693,0.9230769230769231,0,50,disabled smiles,0.7770370244979858,0.6451612710952759,0.5468164682388306,0.6451612710952759,1.1919777393341064,0.42941176891326904,0.7525773048400879,0.6946510076522827,0.8858117461204529,0.7692307829856873,0.0,0.7692307829856873,0.7692307829856873,0.0,0.0,0.0,256,8,1.4271140003322025e-05,0.3010348015013539,concat,4,51.0,14.0
-3,uniprot,733,341,0.6824953445065177,0.31750465549348234,0.24829467939972716,0.7517053206002728,0.2844574780058651,0.7155425219941349,0.07692307692307693,0.9230769230769231,0,50,disabled poi,0.703051745891571,0.6950146555900574,0.13333334028720856,0.6950146555900574,0.8283479809761047,0.3478260934352875,0.0824742242693901,0.6430200934410095,0.29153120517730713,0.9230769276618958,0.0,0.9230769276618958,0.9230769276618958,0.0,0.0,0.6666666269302368,256,8,1.4271140003322025e-05,0.3010348015013539,concat,4,51.0,14.0
-3,uniprot,733,341,0.6824953445065177,0.31750465549348234,0.24829467939972716,0.7517053206002728,0.2844574780058651,0.7155425219941349,0.07692307692307693,0.9230769230769231,0,50,disabled e3,0.6618250608444214,0.6304985284805298,0.25882354378700256,0.6304985284805298,0.88932204246521,0.30136987566947937,0.22680412232875824,0.6494845151901245,0.7050008773803711,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.0,256,8,1.4271140003322025e-05,0.3010348015013539,concat,4,51.0,14.0
-3,uniprot,733,341,0.6824953445065177,0.31750465549348234,0.24829467939972716,0.7517053206002728,0.2844574780058651,0.7155425219941349,0.07692307692307693,0.9230769230769231,0,50,disabled cell,0.7553027868270874,0.6304985284805298,0.28409090638160706,0.6304985284805298,0.9145894050598145,0.3164556920528412,0.25773194432258606,0.5593416690826416,0.7048922181129456,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.0,256,8,1.4271140003322025e-05,0.3010348015013539,concat,4,51.0,14.0
-3,uniprot,733,341,0.6824953445065177,0.31750465549348234,0.24829467939972716,0.7517053206002728,0.2844574780058651,0.7155425219941349,0.07692307692307693,0.9230769230769231,0,50,disabled poi e3 smiles,0.5474222898483276,0.7243402004241943,0.46590909361839294,0.7243402004241943,1.1902493238449097,0.5189873576164246,0.42268040776252747,0.7267829775810242,0.5258334875106812,0.7692307829856873,0.0,0.7692307829856873,0.7692307829856873,0.0,0.0,0.5,256,8,1.4271140003322025e-05,0.3010348015013539,concat,4,51.0,14.0
-3,uniprot,733,341,0.6824953445065177,0.31750465549348234,0.24829467939972716,0.7517053206002728,0.2844574780058651,0.7155425219941349,0.07692307692307693,0.9230769230769231,0,50,disabled poi e3 cell,0.7650655508041382,0.49560117721557617,0.2711864411830902,0.49560117721557617,0.7667876482009888,0.23021583259105682,0.3298968970775604,0.5010351538658142,0.5054481029510498,0.692307710647583,0.3333333432674408,0.692307710647583,1.0256410837173462,0.20000000298023224,1.0,1.0,256,8,1.4271140003322025e-05,0.3010348015013539,concat,4,51.0,14.0
-4,uniprot,779,295,0.7253258845437617,0.2746741154562384,0.27214377406931967,0.7278562259306803,0.2271186440677966,0.7728813559322034,0.07692307692307693,0.9230769230769231,0,62,,0.7067162990570068,0.6135593056678772,0.3870967626571655,0.6135593056678772,1.0006561279296875,0.3025210201740265,0.5373134613037109,0.6698415875434875,0.6462787985801697,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.1666666865348816,256,8,4.435635234807939e-05,0.2451209151965844,concat,3,42.0,23.0
-4,uniprot,779,295,0.7253258845437617,0.2746741154562384,0.27214377406931967,0.7278562259306803,0.2271186440677966,0.7728813559322034,0.07692307692307693,0.9230769230769231,0,62,disabled smiles,0.676571786403656,0.6610169410705566,0.5327102541923523,0.6610169410705566,1.1937272548675537,0.3877550959587097,0.8507462739944458,0.7248625755310059,0.7215731143951416,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.1666666865348816,256,8,4.435635234807939e-05,0.2451209151965844,concat,3,42.0,23.0
-4,uniprot,779,295,0.7253258845437617,0.2746741154562384,0.27214377406931967,0.7278562259306803,0.2271186440677966,0.7728813559322034,0.07692307692307693,0.9230769230769231,0,62,disabled poi,0.7282980680465698,0.6305084824562073,0.34730538725852966,0.6305084824562073,0.9778138399124146,0.28999999165534973,0.43283581733703613,0.6471916437149048,0.47015348076820374,0.7692307829856873,0.0,0.7692307829856873,0.7692307829856873,0.0,0.0,0.8333333134651184,256,8,4.435635234807939e-05,0.2451209151965844,concat,3,42.0,23.0
-4,uniprot,779,295,0.7253258845437617,0.2746741154562384,0.27214377406931967,0.7278562259306803,0.2271186440677966,0.7728813559322034,0.07692307692307693,0.9230769230769231,0,62,disabled e3,0.7235119938850403,0.6305084824562073,0.4293193817138672,0.6305084824562073,1.0598278045654297,0.3306451737880707,0.611940324306488,0.6640154719352722,0.6807907819747925,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.0,256,8,4.435635234807939e-05,0.2451209151965844,concat,3,42.0,23.0
-4,uniprot,779,295,0.7253258845437617,0.2746741154562384,0.27214377406931967,0.7278562259306803,0.2271186440677966,0.7728813559322034,0.07692307692307693,0.9230769230769231,0,62,disabled cell,0.6360450983047485,0.6610169410705566,0.43820226192474365,0.6610169410705566,1.0992192029953003,0.3513513505458832,0.5820895433425903,0.6718381643295288,0.6664928197860718,0.7692307829856873,0.0,0.7692307829856873,0.7692307829856873,0.0,0.0,0.08333331346511841,256,8,4.435635234807939e-05,0.2451209151965844,concat,3,42.0,23.0
-4,uniprot,779,295,0.7253258845437617,0.2746741154562384,0.27214377406931967,0.7278562259306803,0.2271186440677966,0.7728813559322034,0.07692307692307693,0.9230769230769231,0,62,disabled poi e3 smiles,0.7220394015312195,0.6576271057128906,0.5388127565383911,0.6576271057128906,1.1964398622512817,0.3881579041481018,0.8805969953536987,0.7421772480010986,0.7380451560020447,0.5384615659713745,0.0,0.5384615659713745,0.5384615659713745,0.0,0.0,0.3333333134651184,256,8,4.435635234807939e-05,0.2451209151965844,concat,3,42.0,23.0
-4,uniprot,779,295,0.7253258845437617,0.2746741154562384,0.27214377406931967,0.7278562259306803,0.2271186440677966,0.7728813559322034,0.07692307692307693,0.9230769230769231,0,62,disabled poi e3 cell,0.8426668047904968,0.4847457706928253,0.26923078298568726,0.4847457706928253,0.753976583480835,0.19858156144618988,0.41791045665740967,0.45915162563323975,0.9189602136611938,0.4615384638309479,0.2222222238779068,0.4615384638309479,0.6837607026100159,0.125,1.0,0.9166666865348816,256,8,4.435635234807939e-05,0.2451209151965844,concat,3,42.0,23.0
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-0,tanimoto,754,320,0.702048417132216,0.297951582867784,0.23342175066312998,0.76657824933687,0.321875,0.678125,0.07692307692307693,0.9230769230769231,46,0,disabled smiles,0.5553889274597168,0.7250000238418579,0.5769230723381042,0.7250000238418579,1.3019230365753174,0.5714285969734192,0.582524299621582,0.7892040610313416,0.6084226369857788,0.7692307829856873,0.0,0.7692307829856873,0.7692307829856873,0.0,0.0,0.0,768,8,1.6394034942878526e-05,0.3395901947324025,concat,11,36.0,15.0
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reports/cv_report_hparam_search_5-splits_active-and_fp512.csv

@@ -1,106 +0,0 @@
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-2,random,859,215,0.7998137802607076,0.20018621973929238,0.259604190919674,0.740395809080326,0.26046511627906976,0.7395348837209302,0.07692307692307693,0.9230769230769231,50,93,disabled poi e3 cell,0.5107376575469971,0.7813953757286072,0.5840708017349243,0.7813953757286072,1.3654661178588867,0.5789473652839661,0.5892857313156128,0.8368710875511169,0.8500859141349792,0.6153846383094788,0.0,0.6153846383094788,0.6153846383094788,0.0,0.0,0.1666666865348816,512,8,1.9563423049381885e-05,0.14337299644167323,concat,6,,
-3,random,859,215,0.7998137802607076,0.20018621973929238,0.259604190919674,0.740395809080326,0.26046511627906976,0.7395348837209302,0.07692307692307693,0.9230769230769231,48,102,,0.4566880464553833,0.7906976938247681,0.6715328693389893,0.7906976938247681,1.4622305631637573,0.5679012537002563,0.8214285969734192,0.8763476610183716,0.6276618242263794,0.692307710647583,0.0,0.692307710647583,0.692307710647583,0.0,0.0,0.0,256,16,2.6303879436869765e-05,0.12671270139695756,sum,3,,
-3,random,859,215,0.7998137802607076,0.20018621973929238,0.259604190919674,0.740395809080326,0.26046511627906976,0.7395348837209302,0.07692307692307693,0.9230769230769231,48,102,disabled smiles,0.44083571434020996,0.7720929980278015,0.6573426723480225,0.7720929980278015,1.4294357299804688,0.540229856967926,0.8392857313156128,0.8594452142715454,0.8278627991676331,0.692307710647583,0.0,0.692307710647583,0.692307710647583,0.0,0.0,0.0,256,16,2.6303879436869765e-05,0.12671270139695756,sum,3,,
-3,random,859,215,0.7998137802607076,0.20018621973929238,0.259604190919674,0.740395809080326,0.26046511627906976,0.7395348837209302,0.07692307692307693,0.9230769230769231,48,102,disabled poi,0.46899694204330444,0.8279069662094116,0.6476190686225891,0.8279069662094116,1.4755260944366455,0.6938775777816772,0.6071428656578064,0.8777515292167664,0.8358237743377686,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.0,256,16,2.6303879436869765e-05,0.12671270139695756,sum,3,,
-3,random,859,215,0.7998137802607076,0.20018621973929238,0.259604190919674,0.740395809080326,0.26046511627906976,0.7395348837209302,0.07692307692307693,0.9230769230769231,48,102,disabled e3,0.4372692406177521,0.8325581550598145,0.699999988079071,0.8325581550598145,1.5325582027435303,0.65625,0.75,0.8908355236053467,0.8231111764907837,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.0,256,16,2.6303879436869765e-05,0.12671270139695756,sum,3,,
-3,random,859,215,0.7998137802607076,0.20018621973929238,0.259604190919674,0.740395809080326,0.26046511627906976,0.7395348837209302,0.07692307692307693,0.9230769230769231,48,102,disabled cell,0.5177483558654785,0.7860465049743652,0.6666666865348816,0.7860465049743652,1.4527132511138916,0.5609756112098694,0.8214285969734192,0.8834793567657471,0.9488635659217834,0.692307710647583,0.0,0.692307710647583,0.692307710647583,0.0,0.0,0.0,256,16,2.6303879436869765e-05,0.12671270139695756,sum,3,,
-3,random,859,215,0.7998137802607076,0.20018621973929238,0.259604190919674,0.740395809080326,0.26046511627906976,0.7395348837209302,0.07692307692307693,0.9230769230769231,48,102,disabled poi e3 smiles,0.5785863995552063,0.7023255825042725,0.5362318754196167,0.7023255825042725,1.2385574579238892,0.45121949911117554,0.6607142686843872,0.7626347541809082,0.6903073191642761,0.692307710647583,0.0,0.692307710647583,0.692307710647583,0.0,0.0,0.25,256,16,2.6303879436869765e-05,0.12671270139695756,sum,3,,
-3,random,859,215,0.7998137802607076,0.20018621973929238,0.259604190919674,0.740395809080326,0.26046511627906976,0.7395348837209302,0.07692307692307693,0.9230769230769231,48,102,disabled poi e3 cell,0.47578486800193787,0.7860465049743652,0.640625,0.7860465049743652,1.4266715049743652,0.5694444179534912,0.7321428656578064,0.8729784488677979,0.6783736348152161,0.7692307829856873,0.0,0.7692307829856873,0.7692307829856873,0.0,0.0,0.3333333134651184,256,16,2.6303879436869765e-05,0.12671270139695756,sum,3,,
-4,random,860,214,0.8007448789571695,0.19925512104283055,0.26046511627906976,0.7395348837209302,0.2570093457943925,0.7429906542056075,0.07692307692307693,0.9230769230769231,43,108,,0.453313946723938,0.8317757248878479,0.7313432693481445,0.8317757248878479,1.5631189346313477,0.6202531456947327,0.8909090757369995,0.893481969833374,0.7939792275428772,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.0,256,16,3.962445685780194e-05,0.11444062925079208,concat,4,,
-4,random,860,214,0.8007448789571695,0.19925512104283055,0.26046511627906976,0.7395348837209302,0.2570093457943925,0.7429906542056075,0.07692307692307693,0.9230769230769231,43,108,disabled smiles,0.5329816341400146,0.6915887594223022,0.6117647290229797,0.6915887594223022,1.3033535480499268,0.4521739184856415,0.9454545378684998,0.8718124628067017,1.0973798036575317,0.692307710647583,0.0,0.692307710647583,0.692307710647583,0.0,0.0,0.0,256,16,3.962445685780194e-05,0.11444062925079208,concat,4,,
-4,random,860,214,0.8007448789571695,0.19925512104283055,0.26046511627906976,0.7395348837209302,0.2570093457943925,0.7429906542056075,0.07692307692307693,0.9230769230769231,43,108,disabled poi,0.41012486815452576,0.8317757248878479,0.699999988079071,0.8317757248878479,1.531775712966919,0.6461538672447205,0.7636363506317139,0.899142324924469,0.7522429823875427,0.7692307829856873,0.0,0.7692307829856873,0.7692307829856873,0.0,0.0,0.08333331346511841,256,16,3.962445685780194e-05,0.11444062925079208,concat,4,,
-4,random,860,214,0.8007448789571695,0.19925512104283055,0.26046511627906976,0.7395348837209302,0.2570093457943925,0.7429906542056075,0.07692307692307693,0.9230769230769231,43,108,disabled e3,0.3771018385887146,0.822429895401001,0.6666666865348816,0.822429895401001,1.4890966415405273,0.6440678238868713,0.6909090876579285,0.9028587341308594,0.7091509103775024,0.9230769276618958,0.0,0.9230769276618958,0.9230769276618958,0.0,0.0,0.0,256,16,3.962445685780194e-05,0.11444062925079208,concat,4,,
-4,random,860,214,0.8007448789571695,0.19925512104283055,0.26046511627906976,0.7395348837209302,0.2570093457943925,0.7429906542056075,0.07692307692307693,0.9230769230769231,43,108,disabled cell,0.4821314811706543,0.836448609828949,0.7407407164573669,0.836448609828949,1.577189326286316,0.625,0.9090909361839294,0.8951972723007202,0.6904312372207642,0.9230769276618958,0.0,0.9230769276618958,0.9230769276618958,0.0,0.0,0.0,256,16,3.962445685780194e-05,0.11444062925079208,concat,4,,
-4,random,860,214,0.8007448789571695,0.19925512104283055,0.26046511627906976,0.7395348837209302,0.2570093457943925,0.7429906542056075,0.07692307692307693,0.9230769230769231,43,108,disabled poi e3 smiles,0.5253767371177673,0.7476635575294495,0.5714285969734192,0.7476635575294495,1.3190921545028687,0.5070422291755676,0.6545454263687134,0.8067466616630554,0.646018385887146,0.692307710647583,0.0,0.692307710647583,0.692307710647583,0.0,0.0,0.25,256,16,3.962445685780194e-05,0.11444062925079208,concat,4,,
-4,random,860,214,0.8007448789571695,0.19925512104283055,0.26046511627906976,0.7395348837209302,0.2570093457943925,0.7429906542056075,0.07692307692307693,0.9230769230769231,43,108,disabled poi e3 cell,0.43479397892951965,0.8177570104598999,0.6722689270973206,0.8177570104598999,1.4900259971618652,0.625,0.7272727489471436,0.8922812938690186,0.7256917357444763,0.692307710647583,0.0,0.692307710647583,0.692307710647583,0.0,0.0,0.1666666865348816,256,16,3.962445685780194e-05,0.11444062925079208,concat,4,,
-0,uniprot,893,181,0.8314711359404097,0.1685288640595903,0.28331466965285557,0.7166853303471444,0.143646408839779,0.856353591160221,0.07692307692307693,0.9230769230769231,0,20,,0.4521043002605438,0.8287292718887329,0.47457626461982727,0.8287292718887329,1.3033055067062378,0.42424243688583374,0.5384615659713745,0.7426798939704895,0.8038415312767029,0.7692307829856873,0.0,0.7692307829856873,0.7692307829856873,0.0,0.0,0.0,512,16,2.6054468427746273e-05,0.2231928737133838,concat,9,55.0,10.0
-0,uniprot,893,181,0.8314711359404097,0.1685288640595903,0.28331466965285557,0.7166853303471444,0.143646408839779,0.856353591160221,0.07692307692307693,0.9230769230769231,0,20,disabled smiles,0.4400939643383026,0.8453038930892944,0.06666667014360428,0.8453038930892944,0.9119705557823181,0.25,0.03846153989434242,0.6975186467170715,1.015744686126709,0.6153846383094788,0.0,0.6153846383094788,0.6153846383094788,0.0,0.0,0.0,512,16,2.6054468427746273e-05,0.2231928737133838,concat,9,55.0,10.0
-0,uniprot,893,181,0.8314711359404097,0.1685288640595903,0.28331466965285557,0.7166853303471444,0.143646408839779,0.856353591160221,0.07692307692307693,0.9230769230769231,0,20,disabled poi,0.9082889556884766,0.6187845468521118,0.3030303120613098,0.6187845468521118,0.9218148589134216,0.2054794579744339,0.5769230723381042,0.6285359859466553,0.9633963704109192,0.6153846383094788,0.0,0.6153846383094788,0.6153846383094788,0.0,0.0,0.3333333134651184,512,16,2.6054468427746273e-05,0.2231928737133838,concat,9,55.0,10.0
-0,uniprot,893,181,0.8314711359404097,0.1685288640595903,0.28331466965285557,0.7166853303471444,0.143646408839779,0.856353591160221,0.07692307692307693,0.9230769230769231,0,20,disabled e3,0.506292998790741,0.8232043981552124,0.30434781312942505,0.8232043981552124,1.1275522708892822,0.3499999940395355,0.26923078298568726,0.6585608124732971,0.9292709827423096,0.7692307829856873,0.0,0.7692307829856873,0.7692307829856873,0.0,0.0,0.0,512,16,2.6054468427746273e-05,0.2231928737133838,concat,9,55.0,10.0
-0,uniprot,893,181,0.8314711359404097,0.1685288640595903,0.28331466965285557,0.7166853303471444,0.143646408839779,0.856353591160221,0.07692307692307693,0.9230769230769231,0,20,disabled cell,0.4730226397514343,0.8397790193557739,0.35555556416511536,0.8397790193557739,1.195334553718567,0.42105263471603394,0.3076923191547394,0.677915632724762,0.7109540700912476,0.9230769276618958,0.0,0.9230769276618958,0.9230769276618958,0.0,0.0,0.08333331346511841,512,16,2.6054468427746273e-05,0.2231928737133838,concat,9,55.0,10.0
-0,uniprot,893,181,0.8314711359404097,0.1685288640595903,0.28331466965285557,0.7166853303471444,0.143646408839779,0.856353591160221,0.07692307692307693,0.9230769230769231,0,20,disabled poi e3 smiles,0.6647505760192871,0.6795580387115479,0.21621622145175934,0.6795580387115479,0.895774245262146,0.1666666716337204,0.3076923191547394,0.555831253528595,0.8105338215827942,0.38461539149284363,0.0,0.38461539149284363,0.38461539149284363,0.0,0.0,0.25,512,16,2.6054468427746273e-05,0.2231928737133838,concat,9,55.0,10.0
-0,uniprot,893,181,0.8314711359404097,0.1685288640595903,0.28331466965285557,0.7166853303471444,0.143646408839779,0.856353591160221,0.07692307692307693,0.9230769230769231,0,20,disabled poi e3 cell,0.49005207419395447,0.8066298365592957,0.4262295067310333,0.8066298365592957,1.2328593730926514,0.37142857909202576,0.5,0.7387096881866455,0.6206744313240051,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.08333331346511841,512,16,2.6054468427746273e-05,0.2231928737133838,concat,9,55.0,10.0
-1,uniprot,876,198,0.8156424581005587,0.18435754189944134,0.2522831050228311,0.747716894977169,0.29292929292929293,0.7070707070707071,0.07692307692307693,0.9230769230769231,0,14,,0.7917075157165527,0.5656565427780151,0.20370370149612427,0.5656565427780151,0.7693602442741394,0.2199999988079071,0.18965516984462738,0.45024633407592773,0.6995648145675659,0.7692307829856873,0.0,0.7692307829856873,0.7692307829856873,0.0,0.0,0.0,768,32,2.5780100206733384e-05,0.5695540662564215,sum,5,56.0,9.0
-1,uniprot,876,198,0.8156424581005587,0.18435754189944134,0.2522831050228311,0.747716894977169,0.29292929292929293,0.7070707070707071,0.07692307692307693,0.9230769230769231,0,14,disabled smiles,1.2250951528549194,0.4898989796638489,0.482051283121109,0.4898989796638489,0.9719502925872803,0.34306567907333374,0.8103448152542114,0.6989532113075256,0.8383138179779053,0.692307710647583,0.0,0.692307710647583,0.692307710647583,0.0,0.0,0.08333331346511841,768,32,2.5780100206733384e-05,0.5695540662564215,sum,5,56.0,9.0
-1,uniprot,876,198,0.8156424581005587,0.18435754189944134,0.2522831050228311,0.747716894977169,0.29292929292929293,0.7070707070707071,0.07692307692307693,0.9230769230769231,0,14,disabled poi,1.047350287437439,0.6010100841522217,0.2752293646335602,0.6010100841522217,0.8762394189834595,0.29411765933036804,0.2586206793785095,0.5149014592170715,0.8399121165275574,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.0,768,32,2.5780100206733384e-05,0.5695540662564215,sum,5,56.0,9.0
-1,uniprot,876,198,0.8156424581005587,0.18435754189944134,0.2522831050228311,0.747716894977169,0.29292929292929293,0.7070707070707071,0.07692307692307693,0.9230769230769231,0,14,disabled e3,1.058756947517395,0.6212121248245239,0.24242424964904785,0.6212121248245239,0.8636363744735718,0.2926829159259796,0.2068965584039688,0.5953202247619629,0.8656734228134155,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.0,768,32,2.5780100206733384e-05,0.5695540662564215,sum,5,56.0,9.0
-1,uniprot,876,198,0.8156424581005587,0.18435754189944134,0.2522831050228311,0.747716894977169,0.29292929292929293,0.7070707070707071,0.07692307692307693,0.9230769230769231,0,14,disabled cell,1.0417237281799316,0.6111111044883728,0.25242719054222107,0.6111111044883728,0.8635382652282715,0.2888889014720917,0.22413793206214905,0.5614532232284546,0.8467464447021484,0.7692307829856873,0.0,0.7692307829856873,0.7692307829856873,0.0,0.0,0.0,768,32,2.5780100206733384e-05,0.5695540662564215,sum,5,56.0,9.0
-1,uniprot,876,198,0.8156424581005587,0.18435754189944134,0.2522831050228311,0.747716894977169,0.29292929292929293,0.7070707070707071,0.07692307692307693,0.9230769230769231,0,14,disabled poi e3 smiles,1.0651559829711914,0.47979798913002014,0.4875621795654297,0.47979798913002014,0.9673601388931274,0.3426573574542999,0.8448275923728943,0.5981526970863342,0.7897952198982239,0.6153846383094788,0.0,0.6153846383094788,0.6153846383094788,0.0,0.0,0.1666666865348816,768,32,2.5780100206733384e-05,0.5695540662564215,sum,5,56.0,9.0
-1,uniprot,876,198,0.8156424581005587,0.18435754189944134,0.2522831050228311,0.747716894977169,0.29292929292929293,0.7070707070707071,0.07692307692307693,0.9230769230769231,0,14,disabled poi e3 cell,1.1506190299987793,0.6818181872367859,0.2409638613462448,0.6818181872367859,0.9227820634841919,0.4000000059604645,0.17241379618644714,0.45837438106536865,0.8667399883270264,0.692307710647583,0.0,0.692307710647583,0.692307710647583,0.0,0.0,0.0,768,32,2.5780100206733384e-05,0.5695540662564215,sum,5,56.0,9.0
-2,uniprot,1015,59,0.9450651769087524,0.05493482309124767,0.24433497536945814,0.7556650246305419,0.5254237288135594,0.4745762711864407,0.07692307692307693,0.9230769230769231,0,11,,0.63865065574646,0.694915235042572,0.6896551847457886,0.694915235042572,1.3845703601837158,0.7407407164573669,0.6451612710952759,0.7315667867660522,0.6802490949630737,0.7692307829856873,0.0,0.7692307829856873,0.7692307829856873,0.0,0.0,0.0,256,16,1.0908333652400992e-05,0.2675551929732799,sum,15,56.0,9.0
-2,uniprot,1015,59,0.9450651769087524,0.05493482309124767,0.24433497536945814,0.7556650246305419,0.5254237288135594,0.4745762711864407,0.07692307692307693,0.9230769230769231,0,11,disabled smiles,1.0584301948547363,0.4576271176338196,0.2380952388048172,0.4576271176338196,0.6957223415374756,0.4545454680919647,0.16129031777381897,0.4999999701976776,0.9413421154022217,0.692307710647583,0.0,0.692307710647583,0.692307710647583,0.0,0.0,0.0,256,16,1.0908333652400992e-05,0.2675551929732799,sum,15,56.0,9.0
-2,uniprot,1015,59,0.9450651769087524,0.05493482309124767,0.24433497536945814,0.7556650246305419,0.5254237288135594,0.4745762711864407,0.07692307692307693,0.9230769230769231,0,11,disabled poi,1.7559887170791626,0.5762711763381958,0.3243243098258972,0.5762711763381958,0.900595486164093,1.0,0.19354838132858276,0.7430875301361084,0.6811002492904663,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.08333331346511841,256,16,1.0908333652400992e-05,0.2675551929732799,sum,15,56.0,9.0
-2,uniprot,1015,59,0.9450651769087524,0.05493482309124767,0.24433497536945814,0.7556650246305419,0.5254237288135594,0.4745762711864407,0.07692307692307693,0.9230769230769231,0,11,disabled e3,1.657355785369873,0.5423728823661804,0.3076923191547394,0.5423728823661804,0.8500652313232422,0.75,0.19354838132858276,0.7246543765068054,0.7868567109107971,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.0,256,16,1.0908333652400992e-05,0.2675551929732799,sum,15,56.0,9.0
-2,uniprot,1015,59,0.9450651769087524,0.05493482309124767,0.24433497536945814,0.7556650246305419,0.5254237288135594,0.4745762711864407,0.07692307692307693,0.9230769230769231,0,11,disabled cell,2.3858492374420166,0.5593220591545105,0.2777777910232544,0.5593220591545105,0.8370998501777649,1.0,0.16129031777381897,0.6342165470123291,0.7481022477149963,0.9230769276618958,0.0,0.9230769276618958,0.9230769276618958,0.0,0.0,0.0,256,16,1.0908333652400992e-05,0.2675551929732799,sum,15,56.0,9.0
-2,uniprot,1015,59,0.9450651769087524,0.05493482309124767,0.24433497536945814,0.7556650246305419,0.5254237288135594,0.4745762711864407,0.07692307692307693,0.9230769230769231,0,11,disabled poi e3 smiles,0.5858860611915588,0.694915235042572,0.6399999856948853,0.694915235042572,1.3349151611328125,0.8421052694320679,0.5161290168762207,0.8191244006156921,0.6504592895507812,0.692307710647583,0.0,0.692307710647583,0.692307710647583,0.0,0.0,0.25,256,16,1.0908333652400992e-05,0.2675551929732799,sum,15,56.0,9.0
-2,uniprot,1015,59,0.9450651769087524,0.05493482309124767,0.24433497536945814,0.7556650246305419,0.5254237288135594,0.4745762711864407,0.07692307692307693,0.9230769230769231,0,11,disabled poi e3 cell,1.5249282121658325,0.5423728823661804,0.3076923191547394,0.5423728823661804,0.8500652313232422,0.75,0.19354838132858276,0.6860598921775818,0.6823123097419739,0.692307710647583,0.0,0.692307710647583,0.692307710647583,0.0,0.0,0.25,256,16,1.0908333652400992e-05,0.2675551929732799,sum,15,56.0,9.0
-3,uniprot,733,341,0.6824953445065177,0.31750465549348234,0.24829467939972716,0.7517053206002728,0.2844574780058651,0.7155425219941349,0.07692307692307693,0.9230769230769231,0,50,,0.5611294507980347,0.7155424952507019,0.3660130798816681,0.7155424952507019,1.0815556049346924,0.5,0.2886597812175751,0.6669342517852783,0.5001122355461121,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.0,256,16,3.114168734800667e-05,0.6395851793200302,concat,12,51.0,14.0
-3,uniprot,733,341,0.6824953445065177,0.31750465549348234,0.24829467939972716,0.7517053206002728,0.2844574780058651,0.7155425219941349,0.07692307692307693,0.9230769230769231,0,50,disabled smiles,0.7441953420639038,0.6510263681411743,0.5102880597114563,0.6510263681411743,1.1613144874572754,0.42465752363204956,0.6391752362251282,0.6880598068237305,0.8060563206672668,0.7692307829856873,0.0,0.7692307829856873,0.7692307829856873,0.0,0.0,0.0,256,16,3.114168734800667e-05,0.6395851793200302,concat,12,51.0,14.0
-3,uniprot,733,341,0.6824953445065177,0.31750465549348234,0.24829467939972716,0.7517053206002728,0.2844574780058651,0.7155425219941349,0.07692307692307693,0.9230769230769231,0,50,disabled poi,0.9716984629631042,0.6979472041130066,0.3522012531757355,0.6979472041130066,1.0501484870910645,0.4516128897666931,0.2886597812175751,0.630598247051239,0.5631486177444458,0.9230769276618958,0.0,0.9230769276618958,0.9230769276618958,0.0,0.0,0.08333331346511841,256,16,3.114168734800667e-05,0.6395851793200302,concat,12,51.0,14.0
-3,uniprot,733,341,0.6824953445065177,0.31750465549348234,0.24829467939972716,0.7517053206002728,0.2844574780058651,0.7155425219941349,0.07692307692307693,0.9230769230769231,0,50,disabled e3,0.891388475894928,0.6480938196182251,0.40594059228897095,0.6480938196182251,1.0540344715118408,0.39047619700431824,0.42268040776252747,0.6589910387992859,0.7235445380210876,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.0,256,16,3.114168734800667e-05,0.6395851793200302,concat,12,51.0,14.0
-3,uniprot,733,341,0.6824953445065177,0.31750465549348234,0.24829467939972716,0.7517053206002728,0.2844574780058651,0.7155425219941349,0.07692307692307693,0.9230769230769231,0,50,disabled cell,1.0146845579147339,0.6803519129753113,0.36994218826293945,0.6803519129753113,1.0502941608428955,0.42105263471603394,0.3298968970775604,0.5981705188751221,0.6454708576202393,0.9230769276618958,0.0,0.9230769276618958,0.9230769276618958,0.0,0.0,0.0,256,16,3.114168734800667e-05,0.6395851793200302,concat,12,51.0,14.0
-3,uniprot,733,341,0.6824953445065177,0.31750465549348234,0.24829467939972716,0.7517053206002728,0.2844574780058651,0.7155425219941349,0.07692307692307693,0.9230769230769231,0,50,disabled poi e3 smiles,0.5681207180023193,0.6920821070671082,0.46700507402420044,0.6920821070671082,1.1590871810913086,0.46000000834465027,0.47422680258750916,0.763414740562439,0.6262458562850952,0.692307710647583,0.0,0.692307710647583,0.692307710647583,0.0,0.0,0.3333333134651184,256,16,3.114168734800667e-05,0.6395851793200302,concat,12,51.0,14.0
-3,uniprot,733,341,0.6824953445065177,0.31750465549348234,0.24829467939972716,0.7517053206002728,0.2844574780058651,0.7155425219941349,0.07692307692307693,0.9230769230769231,0,50,disabled poi e3 cell,1.0060762166976929,0.6392961740493774,0.38805970549583435,0.6392961740493774,1.0273559093475342,0.375,0.4020618498325348,0.6069587469100952,0.747886598110199,0.7692307829856873,0.0,0.7692307829856873,0.7692307829856873,0.0,0.0,0.0,256,16,3.114168734800667e-05,0.6395851793200302,concat,12,51.0,14.0
-4,uniprot,779,295,0.7253258845437617,0.2746741154562384,0.27214377406931967,0.7278562259306803,0.2271186440677966,0.7728813559322034,0.07692307692307693,0.9230769230769231,0,62,,0.5960512161254883,0.7050847411155701,0.5139665007591248,0.7050847411155701,1.2190512418746948,0.4107142984867096,0.6865671873092651,0.7036855220794678,0.5750228762626648,0.7692307829856873,0.0,0.7692307829856873,0.7692307829856873,0.0,0.0,0.1666666865348816,768,32,2.7307781897055194e-05,0.4666402264751556,sum,15,42.0,23.0
-4,uniprot,779,295,0.7253258845437617,0.2746741154562384,0.27214377406931967,0.7278562259306803,0.2271186440677966,0.7728813559322034,0.07692307692307693,0.9230769230769231,0,62,disabled smiles,0.6174299716949463,0.694915235042572,0.521276593208313,0.694915235042572,1.2161917686462402,0.40495866537094116,0.7313432693481445,0.7427991628646851,0.6939100027084351,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.08333331346511841,768,32,2.7307781897055194e-05,0.4666402264751556,sum,15,42.0,23.0
-4,uniprot,779,295,0.7253258845437617,0.2746741154562384,0.27214377406931967,0.7278562259306803,0.2271186440677966,0.7728813559322034,0.07692307692307693,0.9230769230769231,0,62,disabled poi,0.8555924892425537,0.6406779885292053,0.39772728085517883,0.6406779885292053,1.0384052991867065,0.3211009204387665,0.5223880410194397,0.651381254196167,0.6691620349884033,0.7692307829856873,0.0,0.7692307829856873,0.7692307829856873,0.0,0.0,0.75,768,32,2.7307781897055194e-05,0.4666402264751556,sum,15,42.0,23.0
-4,uniprot,779,295,0.7253258845437617,0.2746741154562384,0.27214377406931967,0.7278562259306803,0.2271186440677966,0.7728813559322034,0.07692307692307693,0.9230769230769231,0,62,disabled e3,0.7413227558135986,0.6644067764282227,0.42105263471603394,0.6644067764282227,1.0854594707489014,0.3461538553237915,0.5373134613037109,0.6929497718811035,0.8133769631385803,0.7692307829856873,0.0,0.7692307829856873,0.7692307829856873,0.0,0.0,0.25,768,32,2.7307781897055194e-05,0.4666402264751556,sum,15,42.0,23.0
-4,uniprot,779,295,0.7253258845437617,0.2746741154562384,0.27214377406931967,0.7278562259306803,0.2271186440677966,0.7728813559322034,0.07692307692307693,0.9230769230769231,0,62,disabled cell,0.771426260471344,0.694915235042572,0.3918918967247009,0.694915235042572,1.086807131767273,0.3580246865749359,0.43283581733703613,0.6561272144317627,0.5639658570289612,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.25,768,32,2.7307781897055194e-05,0.4666402264751556,sum,15,42.0,23.0
-4,uniprot,779,295,0.7253258845437617,0.2746741154562384,0.27214377406931967,0.7278562259306803,0.2271186440677966,0.7728813559322034,0.07692307692307693,0.9230769230769231,0,62,disabled poi e3 smiles,0.6434051990509033,0.7050847411155701,0.5492228269577026,0.7050847411155701,1.254307508468628,0.420634925365448,0.7910447716712952,0.7239787578582764,0.6723012328147888,0.692307710647583,0.0,0.692307710647583,0.692307710647583,0.0,0.0,0.3333333134651184,768,32,2.7307781897055194e-05,0.4666402264751556,sum,15,42.0,23.0
-4,uniprot,779,295,0.7253258845437617,0.2746741154562384,0.27214377406931967,0.7278562259306803,0.2271186440677966,0.7728813559322034,0.07692307692307693,0.9230769230769231,0,62,disabled poi e3 cell,0.8516029715538025,0.6372881531715393,0.40223464369773865,0.6372881531715393,1.0395227670669556,0.3214285671710968,0.5373134613037109,0.6571091413497925,0.6338580250740051,0.7692307829856873,0.0,0.7692307829856873,0.7692307829856873,0.0,0.0,0.5,768,32,2.7307781897055194e-05,0.4666402264751556,sum,15,42.0,23.0
-0,tanimoto,903,171,0.840782122905028,0.15921787709497207,0.25692137320044295,0.743078626799557,0.27485380116959063,0.7251461988304093,0.07692307692307693,0.9230769230769231,44,0,,0.44389262795448303,0.8011695742607117,0.6730769276618958,0.8011695742607117,1.4742465019226074,0.6140350699424744,0.7446808218955994,0.8587851524353027,0.6674551367759705,0.692307710647583,0.0,0.692307710647583,0.692307710647583,0.0,0.0,0.0,768,16,1.4125623221695966e-05,0.28984854003113986,sum,13,38.0,9.0
-0,tanimoto,903,171,0.840782122905028,0.15921787709497207,0.25692137320044295,0.743078626799557,0.27485380116959063,0.7251461988304093,0.07692307692307693,0.9230769230769231,44,0,disabled smiles,0.45790189504623413,0.7777777910232544,0.6346153616905212,0.7777777910232544,1.4123930931091309,0.5789473652839661,0.7021276354789734,0.8390529155731201,0.8980938196182251,0.692307710647583,0.0,0.692307710647583,0.692307710647583,0.0,0.0,0.0,768,16,1.4125623221695966e-05,0.28984854003113986,sum,13,38.0,9.0
-0,tanimoto,903,171,0.840782122905028,0.15921787709497207,0.25692137320044295,0.743078626799557,0.27485380116959063,0.7251461988304093,0.07692307692307693,0.9230769230769231,44,0,disabled poi,0.5511231422424316,0.7777777910232544,0.5869565010070801,0.7777777910232544,1.3647342920303345,0.6000000238418579,0.5744680762290955,0.84531569480896,0.7919601798057556,0.7692307829856873,0.0,0.7692307829856873,0.7692307829856873,0.0,0.0,0.25,768,16,1.4125623221695966e-05,0.28984854003113986,sum,13,38.0,9.0
-0,tanimoto,903,171,0.840782122905028,0.15921787709497207,0.25692137320044295,0.743078626799557,0.27485380116959063,0.7251461988304093,0.07692307692307693,0.9230769230769231,44,0,disabled e3,0.6393543481826782,0.7953216433525085,0.5454545617103577,0.7953216433525085,1.3407762050628662,0.699999988079071,0.44680851697921753,0.8436856269836426,0.8215499520301819,0.9230769276618958,0.0,0.9230769276618958,0.9230769276618958,0.0,0.0,0.0,768,16,1.4125623221695966e-05,0.28984854003113986,sum,13,38.0,9.0
-0,tanimoto,903,171,0.840782122905028,0.15921787709497207,0.25692137320044295,0.743078626799557,0.27485380116959063,0.7251461988304093,0.07692307692307693,0.9230769230769231,44,0,disabled cell,0.5529282093048096,0.7719298005104065,0.5714285969734192,0.7719298005104065,1.3433583974838257,0.5909090638160706,0.5531914830207825,0.8289293050765991,0.8845700025558472,0.7692307829856873,0.0,0.7692307829856873,0.7692307829856873,0.0,0.0,0.0,768,16,1.4125623221695966e-05,0.28984854003113986,sum,13,38.0,9.0
-0,tanimoto,903,171,0.840782122905028,0.15921787709497207,0.25692137320044295,0.743078626799557,0.27485380116959063,0.7251461988304093,0.07692307692307693,0.9230769230769231,44,0,disabled poi e3 smiles,0.5229689478874207,0.7134503126144409,0.5148515105247498,0.7134503126144409,1.228301763534546,0.48148149251937866,0.5531914830207825,0.7931537628173828,0.6322184801101685,0.7692307829856873,0.0,0.7692307829856873,0.7692307829856873,0.0,0.0,0.1666666865348816,768,16,1.4125623221695966e-05,0.28984854003113986,sum,13,38.0,9.0
-0,tanimoto,903,171,0.840782122905028,0.15921787709497207,0.25692137320044295,0.743078626799557,0.27485380116959063,0.7251461988304093,0.07692307692307693,0.9230769230769231,44,0,disabled poi e3 cell,0.5441063642501831,0.7602339386940002,0.5393258333206177,0.7602339386940002,1.2995598316192627,0.5714285969734192,0.5106382966041565,0.8312456607818604,0.9086629152297974,0.6153846383094788,0.0,0.6153846383094788,0.6153846383094788,0.0,0.0,0.0,768,16,1.4125623221695966e-05,0.28984854003113986,sum,13,38.0,9.0
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reports/cv_report_hparam_search_5-splits_active-or.csv

@@ -1,136 +0,0 @@
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-4,random,1298,324,0.8002466091245376,0.1997533908754624,0.5069337442218799,0.4930662557781202,0.5061728395061729,0.49382716049382713,0.5333333333333333,0.4666666666666667,56,149,disabled smiles,0.5956824421882629,0.654321014881134,0.6410256624221802,0.654321014881134,1.295346736907959,0.6756756901741028,0.6097561120986938,0.7390815615653992,0.7254667282104492,0.6666666865348816,0.6153846383094788,0.6666666865348816,1.2820513248443604,0.800000011920929,0.5,0.7321429252624512,768,8,1.2852559182289367e-05,50,sum,15,,
-4,random,1298,324,0.8002466091245376,0.1997533908754624,0.5069337442218799,0.4930662557781202,0.5061728395061729,0.49382716049382713,0.5333333333333333,0.4666666666666667,56,149,disabled e3 cell,0.5830777287483215,0.75,0.7428571581840515,0.75,1.4928572177886963,0.7748344540596008,0.7134146094322205,0.8456935882568359,0.926693856716156,0.6666666865348816,0.6666666865348816,0.6666666865348816,1.3333333730697632,0.7142857313156128,0.625,0.6428571343421936,768,8,1.2852559182289367e-05,50,sum,15,,
-4,random,1298,324,0.8002466091245376,0.1997533908754624,0.5069337442218799,0.4930662557781202,0.5061728395061729,0.49382716049382713,0.5333333333333333,0.4666666666666667,56,149,disabled poi e3 cell,0.5956386923789978,0.7623456716537476,0.783098578453064,0.7623456716537476,1.5454442501068115,0.727748692035675,0.8475610017776489,0.8404344320297241,0.9030624628067017,0.6666666865348816,0.7058823704719543,0.6666666865348816,1.372549057006836,0.6666666865348816,0.75,0.6785714626312256,768,8,1.2852559182289367e-05,50,sum,15,,
-0,uniprot,1037,585,0.6393341553637485,0.36066584463625156,0.5255544840887174,0.47444551591128253,0.4735042735042735,0.5264957264957265,0.5333333333333333,0.4666666666666667,0,104,,0.6805742979049683,0.5452991724014282,0.4549180269241333,0.5452991724014282,1.0002171993255615,0.5260663628578186,0.40072202682495117,0.6074300408363342,0.7000933885574341,0.6000000238418579,0.5714285969734192,0.6000000238418579,1.1714286804199219,0.6666666865348816,0.5,0.5535714030265808,256,16,1.0328892746857063e-05,50,sum,9,66.0,21.0
-0,uniprot,1037,585,0.6393341553637485,0.36066584463625156,0.5255544840887174,0.47444551591128253,0.4735042735042735,0.5264957264957265,0.5333333333333333,0.4666666666666667,0,104,disabled poi,1.0432049036026,0.5658119916915894,0.5134099721908569,0.5658119916915894,1.0792219638824463,0.5469387769699097,0.4837545156478882,0.6340194344520569,0.9784914255142212,0.5333333611488342,0.3636363744735718,0.5333333611488342,0.896969735622406,0.6666666865348816,0.25,0.6785714626312256,256,16,1.0328892746857063e-05,50,sum,9,66.0,21.0
-0,uniprot,1037,585,0.6393341553637485,0.36066584463625156,0.5255544840887174,0.47444551591128253,0.4735042735042735,0.5264957264957265,0.5333333333333333,0.4666666666666667,0,104,disabled cell,1.060300588607788,0.5760684013366699,0.5457875728607178,0.5760684013366699,1.1218559741973877,0.553903341293335,0.5379061102867126,0.6226264834403992,0.9779028296470642,0.46666666865348816,0.20000000298023224,0.46666666865348816,0.6666666865348816,0.5,0.125,0.6964285373687744,256,16,1.0328892746857063e-05,50,sum,9,66.0,21.0
-0,uniprot,1037,585,0.6393341553637485,0.36066584463625156,0.5255544840887174,0.47444551591128253,0.4735042735042735,0.5264957264957265,0.5333333333333333,0.4666666666666667,0,104,disabled smiles,0.7682819366455078,0.608547031879425,0.6288492679595947,0.608547031879425,1.237396240234375,0.570588231086731,0.7003610134124756,0.6433259844779968,0.6237798929214478,0.7333333492279053,0.75,0.7333333492279053,1.4833333492279053,0.75,0.75,0.7321428656578064,256,16,1.0328892746857063e-05,50,sum,9,66.0,21.0
-0,uniprot,1037,585,0.6393341553637485,0.36066584463625156,0.5255544840887174,0.47444551591128253,0.4735042735042735,0.5264957264957265,0.5333333333333333,0.4666666666666667,0,104,disabled e3 cell,1.0375757217407227,0.5606837868690491,0.5385996699333191,0.5606837868690491,1.0992834568023682,0.5357142686843872,0.5415162444114685,0.6230250000953674,0.8824819922447205,0.6666666865348816,0.6153846383094788,0.6666666865348816,1.2820513248443604,0.800000011920929,0.5,0.6964285373687744,256,16,1.0328892746857063e-05,50,sum,9,66.0,21.0
-0,uniprot,1037,585,0.6393341553637485,0.36066584463625156,0.5255544840887174,0.47444551591128253,0.4735042735042735,0.5264957264957265,0.5333333333333333,0.4666666666666667,0,104,disabled poi e3 cell,0.9825984239578247,0.5692307949066162,0.5640138387680054,0.5692307949066162,1.1332446336746216,0.5415282249450684,0.588447630405426,0.6353966593742371,0.8140710592269897,0.46666666865348816,0.4285714328289032,0.46666666865348816,0.8952381014823914,0.5,0.375,0.6607142686843872,256,16,1.0328892746857063e-05,50,sum,9,66.0,21.0
-1,uniprot,1259,363,0.7762022194821209,0.22379778051787916,0.5250198570293884,0.4749801429706116,0.44352617079889806,0.5564738292011019,0.5333333333333333,0.4666666666666667,0,17,,0.698667049407959,0.5647382736206055,0.5611110925674438,0.5647382736206055,1.1258493661880493,0.5075376629829407,0.6273291707038879,0.5479060411453247,0.6848031878471375,0.5333333611488342,0.6666666865348816,0.5333333611488342,1.2000000476837158,0.5384615659713745,0.875,0.75,256,32,1.2134400119533137e-05,10,sum,12,73.0,14.0
-1,uniprot,1259,363,0.7762022194821209,0.22379778051787916,0.5250198570293884,0.4749801429706116,0.44352617079889806,0.5564738292011019,0.5333333333333333,0.4666666666666667,0,17,disabled poi,1.3923978805541992,0.4958677589893341,0.5367088317871094,0.4958677589893341,1.032576560974121,0.45299145579338074,0.6583850979804993,0.5464608669281006,0.7813012599945068,0.5333333611488342,0.4615384638309479,0.5333333611488342,0.9948718547821045,0.6000000238418579,0.375,0.75,256,32,1.2134400119533137e-05,10,sum,12,73.0,14.0
-1,uniprot,1259,363,0.7762022194821209,0.22379778051787916,0.5250198570293884,0.4749801429706116,0.44352617079889806,0.5564738292011019,0.5333333333333333,0.4666666666666667,0,17,disabled cell,1.3374743461608887,0.5151515007019043,0.5440414547920227,0.5151515007019043,1.0591928958892822,0.46666666865348816,0.6521739363670349,0.5568845272064209,0.9127527475357056,0.5333333611488342,0.5333333611488342,0.5333333611488342,1.0666667222976685,0.5714285969734192,0.5,0.5357142686843872,256,32,1.2134400119533137e-05,10,sum,12,73.0,14.0
-1,uniprot,1259,363,0.7762022194821209,0.22379778051787916,0.5250198570293884,0.4749801429706116,0.44352617079889806,0.5564738292011019,0.5333333333333333,0.4666666666666667,0,17,disabled smiles,0.6368347406387329,0.7217630743980408,0.744303822517395,0.7217630743980408,1.466066837310791,0.6282051205635071,0.9130434989929199,0.7376391887664795,0.697905421257019,0.6666666865348816,0.6153846383094788,0.6666666865348816,1.2820513248443604,0.800000011920929,0.5,0.6964285373687744,256,32,1.2134400119533137e-05,10,sum,12,73.0,14.0
-1,uniprot,1259,363,0.7762022194821209,0.22379778051787916,0.5250198570293884,0.4749801429706116,0.44352617079889806,0.5564738292011019,0.5333333333333333,0.4666666666666667,0,17,disabled e3 cell,1.2533833980560303,0.5674931406974792,0.5879265069961548,0.5674931406974792,1.1554195880889893,0.5090909004211426,0.695652186870575,0.6139228940010071,0.8887490034103394,0.6666666865348816,0.6666666865348816,0.6666666865348816,1.3333333730697632,0.7142857313156128,0.625,0.5892857313156128,256,32,1.2134400119533137e-05,10,sum,12,73.0,14.0
-1,uniprot,1259,363,0.7762022194821209,0.22379778051787916,0.5250198570293884,0.4749801429706116,0.44352617079889806,0.5564738292011019,0.5333333333333333,0.4666666666666667,0,17,disabled poi e3 cell,1.292301058769226,0.4765840172767639,0.5177664756774902,0.4765840172767639,0.9943504929542542,0.43776825070381165,0.6335403919219971,0.5400190353393555,0.957726776599884,0.6000000238418579,0.5714285969734192,0.6000000238418579,1.1714286804199219,0.6666666865348816,0.5,0.5357142686843872,256,32,1.2134400119533137e-05,10,sum,12,73.0,14.0
-2,uniprot,1471,151,0.906905055487053,0.09309494451294698,0.4983004758667573,0.5016995241332427,0.5894039735099338,0.4105960264900662,0.5333333333333333,0.4666666666666667,0,4,,0.6618912816047668,0.6490066051483154,0.7071823477745056,0.6490066051483154,1.3561890125274658,0.695652186870575,0.7191011309623718,0.6598405241966248,0.6423447132110596,0.7333333492279053,0.75,0.7333333492279053,1.4833333492279053,0.75,0.75,0.6964285373687744,256,16,2.1923086316179126e-05,10,concat,14,74.0,13.0
-2,uniprot,1471,151,0.906905055487053,0.09309494451294698,0.4983004758667573,0.5016995241332427,0.5894039735099338,0.4105960264900662,0.5333333333333333,0.4666666666666667,0,4,disabled poi,1.025194525718689,0.6225165724754333,0.650306761264801,0.6225165724754333,1.2728233337402344,0.7162162065505981,0.5955055952072144,0.6326567530632019,0.9311726689338684,0.6666666865348816,0.6666666865348816,0.6666666865348816,1.3333333730697632,0.7142857313156128,0.625,0.625,256,16,2.1923086316179126e-05,10,concat,14,74.0,13.0
-2,uniprot,1471,151,0.906905055487053,0.09309494451294698,0.4983004758667573,0.5016995241332427,0.5894039735099338,0.4105960264900662,0.5333333333333333,0.4666666666666667,0,4,disabled cell,0.9312171339988708,0.695364236831665,0.7325581312179565,0.695364236831665,1.4279223680496216,0.759036123752594,0.7078651785850525,0.6731605529785156,0.9022321105003357,0.6000000238418579,0.625,0.6000000238418579,1.225000023841858,0.625,0.625,0.6428571939468384,256,16,2.1923086316179126e-05,10,concat,14,74.0,13.0
-2,uniprot,1471,151,0.906905055487053,0.09309494451294698,0.4983004758667573,0.5016995241332427,0.5894039735099338,0.4105960264900662,0.5333333333333333,0.4666666666666667,0,4,disabled smiles,0.6657904386520386,0.5894039869308472,0.6630434989929199,0.5894039869308472,1.252447485923767,0.6421052813529968,0.6853932738304138,0.6256795525550842,0.6190891861915588,0.7333333492279053,0.7142857313156128,0.7333333492279053,1.447619080543518,0.8333333134651184,0.625,0.7321428060531616,256,16,2.1923086316179126e-05,10,concat,14,74.0,13.0
-2,uniprot,1471,151,0.906905055487053,0.09309494451294698,0.4983004758667573,0.5016995241332427,0.5894039735099338,0.4105960264900662,0.5333333333333333,0.4666666666666667,0,4,disabled e3 cell,0.9448394775390625,0.6754966974258423,0.7134503126144409,0.6754966974258423,1.3889470100402832,0.7439024448394775,0.6853932738304138,0.674429178237915,0.9852158427238464,0.6000000238418579,0.625,0.6000000238418579,1.225000023841858,0.625,0.625,0.6071428656578064,256,16,2.1923086316179126e-05,10,concat,14,74.0,13.0
-2,uniprot,1471,151,0.906905055487053,0.09309494451294698,0.4983004758667573,0.5016995241332427,0.5894039735099338,0.4105960264900662,0.5333333333333333,0.4666666666666667,0,4,disabled poi e3 cell,1.129654884338379,0.5761589407920837,0.5789473652839661,0.5761589407920837,1.1551063060760498,0.6984127163887024,0.49438202381134033,0.5999456644058228,1.126656413078308,0.6000000238418579,0.625,0.6000000238418579,1.225000023841858,0.625,0.625,0.5357142686843872,256,16,2.1923086316179126e-05,10,concat,14,74.0,13.0
-3,uniprot,1304,318,0.8039457459926017,0.1960542540073983,0.5015337423312883,0.49846625766871167,0.5283018867924528,0.4716981132075472,0.5333333333333333,0.4666666666666667,0,68,,0.6769872903823853,0.5345911979675293,0.5286624431610107,0.5345911979675293,1.06325364112854,0.568493127822876,0.494047611951828,0.5830555558204651,0.7015848159790039,0.6000000238418579,0.625,0.6000000238418579,1.225000023841858,0.625,0.625,0.5892857313156128,256,16,1.0770778615769446e-05,50,concat,14,66.0,21.0
-3,uniprot,1304,318,0.8039457459926017,0.1960542540073983,0.5015337423312883,0.49846625766871167,0.5283018867924528,0.4716981132075472,0.5333333333333333,0.4666666666666667,0,68,disabled poi,1.034327745437622,0.5691823959350586,0.5934718251228333,0.5691823959350586,1.162654161453247,0.5917159914970398,0.5952380895614624,0.6018253564834595,0.8114281892776489,0.46666666865348816,0.5555555820465088,0.46666666865348816,1.0222222805023193,0.5,0.625,0.6428571343421936,256,16,1.0770778615769446e-05,50,concat,14,66.0,21.0
-3,uniprot,1304,318,0.8039457459926017,0.1960542540073983,0.5015337423312883,0.49846625766871167,0.5283018867924528,0.4716981132075472,0.5333333333333333,0.4666666666666667,0,68,disabled cell,1.0128945112228394,0.544025182723999,0.5396825671195984,0.544025182723999,1.0837078094482422,0.5782312750816345,0.5059523582458496,0.5898213982582092,1.1084200143814087,0.46666666865348816,0.5,0.46666666865348816,0.9666666984558105,0.5,0.5,0.5714285969734192,256,16,1.0770778615769446e-05,50,concat,14,66.0,21.0
-3,uniprot,1304,318,0.8039457459926017,0.1960542540073983,0.5015337423312883,0.49846625766871167,0.5283018867924528,0.4716981132075472,0.5333333333333333,0.4666666666666667,0,68,disabled smiles,0.8968974947929382,0.5597484111785889,0.5757575631141663,0.5597484111785889,1.1355059146881104,0.5864197611808777,0.5654761791229248,0.6167262196540833,0.750360369682312,0.7333333492279053,0.6666666865348816,0.7333333492279053,1.4000000953674316,1.0,0.5,0.75,256,16,1.0770778615769446e-05,50,concat,14,66.0,21.0
-3,uniprot,1304,318,0.8039457459926017,0.1960542540073983,0.5015337423312883,0.49846625766871167,0.5283018867924528,0.4716981132075472,0.5333333333333333,0.4666666666666667,0,68,disabled e3 cell,0.9925417304039001,0.5628930926322937,0.6170799136161804,0.5628930926322937,1.1799730062484741,0.5743589997291565,0.6666666865348816,0.6087896823883057,0.9275858402252197,0.5333333611488342,0.5882353186607361,0.5333333611488342,1.1215686798095703,0.5555555820465088,0.625,0.6785714626312256,256,16,1.0770778615769446e-05,50,concat,14,66.0,21.0
-3,uniprot,1304,318,0.8039457459926017,0.1960542540073983,0.5015337423312883,0.49846625766871167,0.5283018867924528,0.4716981132075472,0.5333333333333333,0.4666666666666667,0,68,disabled poi e3 cell,1.0844191312789917,0.5566037893295288,0.5252525210380554,0.5566037893295288,1.0818562507629395,0.604651153087616,0.4642857015132904,0.5856150984764099,1.1443562507629395,0.46666666865348816,0.5,0.46666666865348816,0.9666666984558105,0.5,0.5,0.5357142686843872,256,16,1.0770778615769446e-05,50,concat,14,66.0,21.0
-4,uniprot,1417,205,0.8736128236744759,0.12638717632552404,0.49047282992237123,0.5095271700776288,0.6195121951219512,0.3804878048780488,0.5333333333333333,0.4666666666666667,0,59,,0.6683107614517212,0.6487804651260376,0.7230769395828247,0.6487804651260376,1.3718574047088623,0.7067669034004211,0.7401574850082397,0.7071472406387329,0.6816360950469971,0.6666666865348816,0.6666666865348816,0.6666666865348816,1.3333333730697632,0.7142857313156128,0.625,0.6964285373687744,512,8,1.5189863917717425e-05,10,sum,9,69.0,18.0
-4,uniprot,1417,205,0.8736128236744759,0.12638717632552404,0.49047282992237123,0.5095271700776288,0.6195121951219512,0.3804878048780488,0.5333333333333333,0.4666666666666667,0,59,disabled poi,1.0053141117095947,0.6390243768692017,0.6837607026100159,0.6390243768692017,1.3227851390838623,0.7476635575294495,0.6299212574958801,0.6841307878494263,1.028480887413025,0.4000000059604645,0.3076923191547394,0.4000000059604645,0.7076923251152039,0.4000000059604645,0.25,0.5892857313156128,512,8,1.5189863917717425e-05,10,sum,9,69.0,18.0
-4,uniprot,1417,205,0.8736128236744759,0.12638717632552404,0.49047282992237123,0.5095271700776288,0.6195121951219512,0.3804878048780488,0.5333333333333333,0.4666666666666667,0,59,disabled cell,0.7688074707984924,0.7219512462615967,0.7782101035118103,0.7219512462615967,1.5001614093780518,0.7692307829856873,0.787401556968689,0.7404603958129883,0.8907277584075928,0.5333333611488342,0.4615384638309479,0.5333333611488342,0.9948718547821045,0.6000000238418579,0.375,0.6607142686843872,512,8,1.5189863917717425e-05,10,sum,9,69.0,18.0
-4,uniprot,1417,205,0.8736128236744759,0.12638717632552404,0.49047282992237123,0.5095271700776288,0.6195121951219512,0.3804878048780488,0.5333333333333333,0.4666666666666667,0,59,disabled smiles,0.8793501853942871,0.5365853905677795,0.6025104522705078,0.5365853905677795,1.1390957832336426,0.6428571343421936,0.5669291615486145,0.5261962413787842,0.6516460180282593,0.6666666865348816,0.6153846383094788,0.6666666865348816,1.2820513248443604,0.800000011920929,0.5,0.785714328289032,512,8,1.5189863917717425e-05,10,sum,9,69.0,18.0
-4,uniprot,1417,205,0.8736128236744759,0.12638717632552404,0.49047282992237123,0.5095271700776288,0.6195121951219512,0.3804878048780488,0.5333333333333333,0.4666666666666667,0,59,disabled e3 cell,0.7822229862213135,0.7170731425285339,0.7716535329818726,0.7170731425285339,1.4887266159057617,0.7716535329818726,0.7716535329818726,0.7456087470054626,0.9874768853187561,0.5333333611488342,0.4615384638309479,0.5333333611488342,0.9948718547821045,0.6000000238418579,0.375,0.5714285969734192,512,8,1.5189863917717425e-05,10,sum,9,69.0,18.0
-4,uniprot,1417,205,0.8736128236744759,0.12638717632552404,0.49047282992237123,0.5095271700776288,0.6195121951219512,0.3804878048780488,0.5333333333333333,0.4666666666666667,0,59,disabled poi e3 cell,0.8185951113700867,0.6780487895011902,0.7573529481887817,0.6780487895011902,1.4354016780853271,0.7103448510169983,0.8110235929489136,0.7301130294799805,0.9721665978431702,0.5333333611488342,0.5882353186607361,0.5333333611488342,1.1215686798095703,0.5555555820465088,0.625,0.6428571343421936,512,8,1.5189863917717425e-05,10,sum,9,69.0,18.0
-0,tanimoto,1316,306,0.8113440197287299,0.18865598027127004,0.5091185410334347,0.4908814589665654,0.49673202614379086,0.5032679738562091,0.5333333333333333,0.4666666666666667,54,0,,0.5813985466957092,0.6960784196853638,0.7155963182449341,0.6960784196853638,1.4116747379302979,0.668571412563324,0.7697368264198303,0.7600820064544678,0.6282027363777161,0.5333333611488342,0.5333333611488342,0.5333333611488342,1.0666667222976685,0.5714285969734192,0.5,0.6785714030265808,256,32,2.6209342707871565e-05,50,sum,15,56.0,14.0
-0,tanimoto,1316,306,0.8113440197287299,0.18865598027127004,0.5091185410334347,0.4908814589665654,0.49673202614379086,0.5032679738562091,0.5333333333333333,0.4666666666666667,54,0,disabled poi,0.8007447719573975,0.6699346303939819,0.6379928588867188,0.6699346303939819,1.3079274892807007,0.7007874250411987,0.5855262875556946,0.747522234916687,0.9419458508491516,0.5333333611488342,0.4615384638309479,0.5333333611488342,0.9948718547821045,0.6000000238418579,0.375,0.625,256,32,2.6209342707871565e-05,50,sum,15,56.0,14.0
-0,tanimoto,1316,306,0.8113440197287299,0.18865598027127004,0.5091185410334347,0.4908814589665654,0.49673202614379086,0.5032679738562091,0.5333333333333333,0.4666666666666667,54,0,disabled cell,0.7980011701583862,0.6535947918891907,0.6015037298202515,0.6535947918891907,1.255098581314087,0.7017543911933899,0.5263158082962036,0.7492737770080566,0.9264742136001587,0.6666666865348816,0.6153846383094788,0.6666666865348816,1.2820513248443604,0.800000011920929,0.5,0.7142857313156128,256,32,2.6209342707871565e-05,50,sum,15,56.0,14.0
-0,tanimoto,1316,306,0.8113440197287299,0.18865598027127004,0.5091185410334347,0.4908814589665654,0.49673202614379086,0.5032679738562091,0.5333333333333333,0.4666666666666667,54,0,disabled smiles,0.5400054454803467,0.686274528503418,0.7303370833396912,0.686274528503418,1.416611671447754,0.6372548937797546,0.8552631735801697,0.7988080978393555,0.6524150967597961,0.7333333492279053,0.75,0.7333333492279053,1.4833333492279053,0.75,0.75,0.7678571343421936,256,32,2.6209342707871565e-05,50,sum,15,56.0,14.0
-0,tanimoto,1316,306,0.8113440197287299,0.18865598027127004,0.5091185410334347,0.4908814589665654,0.49673202614379086,0.5032679738562091,0.5333333333333333,0.4666666666666667,54,0,disabled e3 cell,0.861689567565918,0.6339869499206543,0.6190476417541504,0.6339869499206543,1.2530345916748047,0.6408450603485107,0.5986841917037964,0.7224025726318359,1.0956242084503174,0.46666666865348816,0.3333333432674408,0.46666666865348816,0.800000011920929,0.5,0.25,0.5892857313156128,256,32,2.6209342707871565e-05,50,sum,15,56.0,14.0
-0,tanimoto,1316,306,0.8113440197287299,0.18865598027127004,0.5091185410334347,0.4908814589665654,0.49673202614379086,0.5032679738562091,0.5333333333333333,0.4666666666666667,54,0,disabled poi e3 cell,0.7757598757743835,0.6503267884254456,0.6747720241546631,0.6503267884254456,1.3250987529754639,0.6271186470985413,0.7302631735801697,0.7401315569877625,0.9812540411949158,0.46666666865348816,0.4285714328289032,0.46666666865348816,0.8952381014823914,0.5,0.375,0.5892857313156128,256,32,2.6209342707871565e-05,50,sum,15,56.0,14.0
-1,tanimoto,1454,168,0.8964241676942046,0.10357583230579531,0.5123796423658872,0.48762035763411277,0.4583333333333333,0.5416666666666666,0.5333333333333333,0.4666666666666667,43,0,,0.4530201554298401,0.8035714030265808,0.800000011920929,0.8035714030265808,1.6035714149475098,0.75,0.8571428656578064,0.8752675652503967,0.6032885313034058,0.6000000238418579,0.625,0.6000000238418579,1.225000023841858,0.625,0.625,0.7321428060531616,768,16,1.3469874379016837e-05,10,sum,11,60.0,10.0
-1,tanimoto,1454,168,0.8964241676942046,0.10357583230579531,0.5123796423658872,0.48762035763411277,0.4583333333333333,0.5416666666666666,0.5333333333333333,0.4666666666666667,43,0,disabled poi,0.555986225605011,0.8095238208770752,0.7746478915214539,0.8095238208770752,1.5841717720031738,0.8461538553237915,0.7142857313156128,0.8729841113090515,0.9581051468849182,0.46666666865348816,0.4285714328289032,0.46666666865348816,0.8952381014823914,0.5,0.375,0.5714285969734192,768,16,1.3469874379016837e-05,10,sum,11,60.0,10.0
-1,tanimoto,1454,168,0.8964241676942046,0.10357583230579531,0.5123796423658872,0.48762035763411277,0.4583333333333333,0.5416666666666666,0.5333333333333333,0.4666666666666667,43,0,disabled cell,0.5553265810012817,0.8154761791229248,0.7769784331321716,0.8154761791229248,1.5924546718597412,0.8709677457809448,0.701298713684082,0.8640645146369934,0.9330976009368896,0.6000000238418579,0.5,0.6000000238418579,1.100000023841858,0.75,0.375,0.6428571343421936,768,16,1.3469874379016837e-05,10,sum,11,60.0,10.0
-1,tanimoto,1454,168,0.8964241676942046,0.10357583230579531,0.5123796423658872,0.48762035763411277,0.4583333333333333,0.5416666666666666,0.5333333333333333,0.4666666666666667,43,0,disabled smiles,0.5285609364509583,0.6845238208770752,0.6131386756896973,0.6845238208770752,1.2976624965667725,0.699999988079071,0.5454545617103577,0.8052661418914795,0.6622338891029358,0.7333333492279053,0.7142857313156128,0.7333333492279053,1.447619080543518,0.8333333134651184,0.625,0.8214285373687744,768,16,1.3469874379016837e-05,10,sum,11,60.0,10.0
-1,tanimoto,1454,168,0.8964241676942046,0.10357583230579531,0.5123796423658872,0.48762035763411277,0.4583333333333333,0.5416666666666666,0.5333333333333333,0.4666666666666667,43,0,disabled e3 cell,0.5163272619247437,0.851190447807312,0.8344370722770691,0.851190447807312,1.6856274604797363,0.8513513803482056,0.8181818127632141,0.8686313629150391,0.7926244735717773,0.6666666865348816,0.7058823704719543,0.6666666865348816,1.372549057006836,0.6666666865348816,0.75,0.7142857313156128,768,16,1.3469874379016837e-05,10,sum,11,60.0,10.0
-1,tanimoto,1454,168,0.8964241676942046,0.10357583230579531,0.5123796423658872,0.48762035763411277,0.4583333333333333,0.5416666666666666,0.5333333333333333,0.4666666666666667,43,0,disabled poi e3 cell,0.6205514669418335,0.8154761791229248,0.7801418304443359,0.8154761791229248,1.5956180095672607,0.859375,0.7142857313156128,0.8527899980545044,1.1098278760910034,0.5333333611488342,0.4615384638309479,0.5333333611488342,0.9948718547821045,0.6000000238418579,0.375,0.5357142686843872,768,16,1.3469874379016837e-05,10,sum,11,60.0,10.0
-2,tanimoto,1249,373,0.7700369913686806,0.22996300863131935,0.5100080064051241,0.4899919935948759,0.4959785522788204,0.5040214477211796,0.5333333333333333,0.4666666666666667,56,0,,0.5624220967292786,0.6943699717521667,0.7015706896781921,0.6943699717521667,1.3959406614303589,0.6802030205726624,0.7243243455886841,0.7786228060722351,0.702724814414978,0.4000000059604645,0.47058823704719543,0.4000000059604645,0.8705882430076599,0.4444444477558136,0.5,0.5,256,8,1.1698504434086822e-05,20,sum,9,52.0,18.0
-2,tanimoto,1249,373,0.7700369913686806,0.22996300863131935,0.5100080064051241,0.4899919935948759,0.4959785522788204,0.5040214477211796,0.5333333333333333,0.4666666666666667,56,0,disabled poi,0.7783430814743042,0.7158176898956299,0.6954023241996765,0.7158176898956299,1.4112200736999512,0.7423312664031982,0.6540540456771851,0.778062105178833,0.8380886912345886,0.5333333611488342,0.5333333611488342,0.5333333611488342,1.0666667222976685,0.5714285969734192,0.5,0.6785714626312256,256,8,1.1698504434086822e-05,20,sum,9,52.0,18.0
-2,tanimoto,1249,373,0.7700369913686806,0.22996300863131935,0.5100080064051241,0.4899919935948759,0.4959785522788204,0.5040214477211796,0.5333333333333333,0.4666666666666667,56,0,disabled cell,0.7651887536048889,0.707774817943573,0.6929577589035034,0.707774817943573,1.4007325172424316,0.7235293984413147,0.6648648381233215,0.7714059948921204,0.992777407169342,0.5333333611488342,0.5333333611488342,0.5333333611488342,1.0666667222976685,0.5714285969734192,0.5,0.5892857313156128,256,8,1.1698504434086822e-05,20,sum,9,52.0,18.0
-2,tanimoto,1249,373,0.7700369913686806,0.22996300863131935,0.5100080064051241,0.4899919935948759,0.4959785522788204,0.5040214477211796,0.5333333333333333,0.4666666666666667,56,0,disabled smiles,0.5982052683830261,0.6890080571174622,0.742222249507904,0.6890080571174622,1.4312303066253662,0.6301887035369873,0.9027026891708374,0.7434157133102417,0.6201121211051941,0.7333333492279053,0.75,0.7333333492279053,1.4833333492279053,0.75,0.75,0.7857142686843872,256,8,1.1698504434086822e-05,20,sum,9,52.0,18.0
-2,tanimoto,1249,373,0.7700369913686806,0.22996300863131935,0.5100080064051241,0.4899919935948759,0.4959785522788204,0.5040214477211796,0.5333333333333333,0.4666666666666667,56,0,disabled e3 cell,0.742739737033844,0.7104557752609253,0.6727272868156433,0.7104557752609253,1.3831830024719238,0.7655172348022461,0.6000000238418579,0.7929700613021851,1.2117674350738525,0.5333333611488342,0.5333333611488342,0.5333333611488342,1.0666667222976685,0.5714285969734192,0.5,0.5535714626312256,256,8,1.1698504434086822e-05,20,sum,9,52.0,18.0
-2,tanimoto,1249,373,0.7700369913686806,0.22996300863131935,0.5100080064051241,0.4899919935948759,0.4959785522788204,0.5040214477211796,0.5333333333333333,0.4666666666666667,56,0,disabled poi e3 cell,0.7611973881721497,0.6943699717521667,0.6705202460289001,0.6943699717521667,1.364890217781067,0.7204968929290771,0.6270270347595215,0.7703277468681335,0.7766808867454529,0.6666666865348816,0.7058823704719543,0.6666666865348816,1.372549057006836,0.6666666865348816,0.75,0.6428571343421936,256,8,1.1698504434086822e-05,20,sum,9,52.0,18.0
-3,tanimoto,1235,387,0.7614056720098644,0.23859432799013564,0.4939271255060729,0.5060728744939271,0.5478036175710594,0.45219638242894056,0.5333333333333333,0.4666666666666667,53,0,,0.607187032699585,0.6614987254142761,0.6812652349472046,0.6614987254142761,1.342763900756836,0.7035176157951355,0.6603773832321167,0.7254717350006104,0.643341600894928,0.6666666865348816,0.7058823704719543,0.6666666865348816,1.372549057006836,0.6666666865348816,0.75,0.75,512,32,1.5066292730270795e-05,50,sum,14,62.0,8.0
-3,tanimoto,1235,387,0.7614056720098644,0.23859432799013564,0.4939271255060729,0.5060728744939271,0.5478036175710594,0.45219638242894056,0.5333333333333333,0.4666666666666667,53,0,disabled poi,0.9363481998443604,0.6718346476554871,0.650137722492218,0.6718346476554871,1.321972370147705,0.7814569473266602,0.5566037893295288,0.7352830171585083,0.9946625828742981,0.5333333611488342,0.5333333611488342,0.5333333611488342,1.0666667222976685,0.5714285969734192,0.5,0.5892857313156128,512,32,1.5066292730270795e-05,50,sum,14,62.0,8.0
-3,tanimoto,1235,387,0.7614056720098644,0.23859432799013564,0.4939271255060729,0.5060728744939271,0.5478036175710594,0.45219638242894056,0.5333333333333333,0.4666666666666667,53,0,disabled cell,0.9203142523765564,0.6614987254142761,0.663239061832428,0.6614987254142761,1.324737787246704,0.7288135886192322,0.6084905862808228,0.7434635758399963,0.8264594674110413,0.6000000238418579,0.5714285969734192,0.6000000238418579,1.1714286804199219,0.6666666865348816,0.5,0.625,512,32,1.5066292730270795e-05,50,sum,14,62.0,8.0
-3,tanimoto,1235,387,0.7614056720098644,0.23859432799013564,0.4939271255060729,0.5060728744939271,0.5478036175710594,0.45219638242894056,0.5333333333333333,0.4666666666666667,53,0,disabled smiles,0.5552396774291992,0.6744186282157898,0.7149321436882019,0.6744186282157898,1.3893507719039917,0.686956524848938,0.7452830076217651,0.7666711211204529,0.656206488609314,0.7333333492279053,0.75,0.7333333492279053,1.4833333492279053,0.75,0.75,0.7857142686843872,512,32,1.5066292730270795e-05,50,sum,14,62.0,8.0
-3,tanimoto,1235,387,0.7614056720098644,0.23859432799013564,0.4939271255060729,0.5060728744939271,0.5478036175710594,0.45219638242894056,0.5333333333333333,0.4666666666666667,53,0,disabled e3 cell,1.0615794658660889,0.6666666865348816,0.6006191968917847,0.6666666865348816,1.2672858238220215,0.8738738894462585,0.4575471580028534,0.755539059638977,1.4021022319793701,0.4000000059604645,0.0,0.4000000059604645,0.4000000059604645,0.0,0.0,0.4285714030265808,512,32,1.5066292730270795e-05,50,sum,14,62.0,8.0
-3,tanimoto,1235,387,0.7614056720098644,0.23859432799013564,0.4939271255060729,0.5060728744939271,0.5478036175710594,0.45219638242894056,0.5333333333333333,0.4666666666666667,53,0,disabled poi e3 cell,0.8265496492385864,0.6718346476554871,0.6751918196678162,0.6718346476554871,1.3470264673233032,0.7374301552772522,0.6226415038108826,0.7440565824508667,0.9329870939254761,0.6000000238418579,0.625,0.6000000238418579,1.225000023841858,0.625,0.625,0.5892857313156128,512,32,1.5066292730270795e-05,50,sum,14,62.0,8.0
-4,tanimoto,1234,388,0.7607891491985204,0.23921085080147966,0.5072933549432739,0.49270664505672607,0.5051546391752577,0.4948453608247423,0.5333333333333333,0.4666666666666667,55,0,,0.5751430988311768,0.7603092789649963,0.7584415674209595,0.7603092789649963,1.5187509059906006,0.7724867463111877,0.7448979616165161,0.8235278129577637,0.7828870415687561,0.6666666865348816,0.6666666865348816,0.6666666865348816,1.3333333730697632,0.7142857313156128,0.625,0.6964285373687744,512,8,2.3369106941135796e-05,50,sum,11,50.0,20.0
-4,tanimoto,1234,388,0.7607891491985204,0.23921085080147966,0.5072933549432739,0.49270664505672607,0.5051546391752577,0.4948453608247423,0.5333333333333333,0.4666666666666667,55,0,disabled poi,0.6127776503562927,0.7422680258750916,0.7311828136444092,0.7422680258750916,1.4734508991241455,0.7727272510528564,0.6938775777816772,0.8204984664916992,0.9949392676353455,0.5333333611488342,0.5333333611488342,0.5333333611488342,1.0666667222976685,0.5714285969734192,0.5,0.625,512,8,2.3369106941135796e-05,50,sum,11,50.0,20.0
-4,tanimoto,1234,388,0.7607891491985204,0.23921085080147966,0.5072933549432739,0.49270664505672607,0.5051546391752577,0.4948453608247423,0.5333333333333333,0.4666666666666667,55,0,disabled cell,0.6861721873283386,0.688144326210022,0.7375271320343018,0.688144326210022,1.4256714582443237,0.6415094137191772,0.8673469424247742,0.8148118853569031,0.8460861444473267,0.5333333611488342,0.5882353186607361,0.5333333611488342,1.1215686798095703,0.5555555820465088,0.625,0.6785714030265808,512,8,2.3369106941135796e-05,50,sum,11,50.0,20.0
-4,tanimoto,1234,388,0.7607891491985204,0.23921085080147966,0.5072933549432739,0.49270664505672607,0.5051546391752577,0.4948453608247423,0.5333333333333333,0.4666666666666667,55,0,disabled smiles,0.5835303068161011,0.6701030731201172,0.6384180784225464,0.6701030731201172,1.3085211515426636,0.7151898741722107,0.5765306353569031,0.7617852091789246,0.8162958025932312,0.6000000238418579,0.4000000059604645,0.6000000238418579,1.0,1.0,0.25,0.6607142686843872,512,8,2.3369106941135796e-05,50,sum,11,50.0,20.0
-4,tanimoto,1234,388,0.7607891491985204,0.23921085080147966,0.5072933549432739,0.49270664505672607,0.5051546391752577,0.4948453608247423,0.5333333333333333,0.4666666666666667,55,0,disabled e3 cell,0.618591845035553,0.7293814420700073,0.7272727489471436,0.7293814420700073,1.4566541910171509,0.7407407164573669,0.7142857313156128,0.8103342652320862,1.0548298358917236,0.5333333611488342,0.5333333611488342,0.5333333611488342,1.0666667222976685,0.5714285969734192,0.5,0.5892857313156128,512,8,2.3369106941135796e-05,50,sum,11,50.0,20.0
-4,tanimoto,1234,388,0.7607891491985204,0.23921085080147966,0.5072933549432739,0.49270664505672607,0.5051546391752577,0.4948453608247423,0.5333333333333333,0.4666666666666667,55,0,disabled poi e3 cell,0.6402615308761597,0.7371134161949158,0.7315789461135864,0.7371134161949158,1.4686923027038574,0.7554348111152649,0.7091836929321289,0.7954798936843872,1.0141464471817017,0.5333333611488342,0.5333333611488342,0.5333333611488342,1.0666667222976685,0.5714285969734192,0.5,0.5714285373687744,512,8,2.3369106941135796e-05,50,sum,11,50.0,20.0
-0,random,1297,325,0.7996300863131935,0.2003699136868064,0.5065535851966075,0.49344641480339246,0.5076923076923077,0.49230769230769234,0.5333333333333333,0.4666666666666667,60,154,,0.47242388129234314,0.7969231009483337,0.7975460290908813,0.7969231009483337,1.5944690704345703,0.8074533939361572,0.7878788113594055,0.8670075535774231,0.6653529405593872,0.6666666865348816,0.6666666865348816,0.6666666865348816,1.3333333730697632,0.7142857313156128,0.625,0.75,512,16,2.3174278745002e-05,50,sum,6,,
-0,random,1297,325,0.7996300863131935,0.2003699136868064,0.5065535851966075,0.49344641480339246,0.5076923076923077,0.49230769230769234,0.5333333333333333,0.4666666666666667,60,154,disabled e3,0.5205754041671753,0.7876923084259033,0.7952522039413452,0.7876923084259033,1.5829445123672485,0.7790697813034058,0.8121212124824524,0.8690909743309021,0.6837572455406189,0.6666666865348816,0.6666666865348816,0.6666666865348816,1.3333333730697632,0.7142857313156128,0.625,0.7857142686843872,512,16,2.3174278745002e-05,50,sum,6,,
-0,random,1297,325,0.7996300863131935,0.2003699136868064,0.5065535851966075,0.49344641480339246,0.5076923076923077,0.49230769230769234,0.5333333333333333,0.4666666666666667,60,154,disabled poi e3 smiles,0.6132248044013977,0.6800000071525574,0.6790123581886292,0.6800000071525574,1.3590123653411865,0.6918238997459412,0.6666666865348816,0.722083330154419,0.6929765343666077,0.5333333611488342,0.5882353186607361,0.5333333611488342,1.1215686798095703,0.5555555820465088,0.625,0.5625,512,16,2.3174278745002e-05,50,sum,6,,
-1,random,1297,325,0.7996300863131935,0.2003699136868064,0.5065535851966075,0.49344641480339246,0.5076923076923077,0.49230769230769234,0.5333333333333333,0.4666666666666667,61,169,,0.43813419342041016,0.800000011920929,0.7923322916030884,0.800000011920929,1.592332363128662,0.837837815284729,0.7515151500701904,0.8866856098175049,0.8298807144165039,0.46666666865348816,0.3333333432674408,0.46666666865348816,0.800000011920929,0.5,0.25,0.6428571343421936,512,16,2.4842626871677858e-05,50,sum,7,,
-1,random,1297,325,0.7996300863131935,0.2003699136868064,0.5065535851966075,0.49344641480339246,0.5076923076923077,0.49230769230769234,0.5333333333333333,0.4666666666666667,61,169,disabled e3,0.48385292291641235,0.7846153974533081,0.7965116500854492,0.7846153974533081,1.5811270475387573,0.7653631567955017,0.8303030133247375,0.8846022486686707,0.8870882391929626,0.6000000238418579,0.5714285969734192,0.6000000238418579,1.1714286804199219,0.6666666865348816,0.5,0.625,512,16,2.4842626871677858e-05,50,sum,7,,
-1,random,1297,325,0.7996300863131935,0.2003699136868064,0.5065535851966075,0.49344641480339246,0.5076923076923077,0.49230769230769234,0.5333333333333333,0.4666666666666667,61,169,disabled poi e3 smiles,0.5994701385498047,0.689230740070343,0.6793650984764099,0.689230740070343,1.368595838546753,0.7133333086967468,0.6484848260879517,0.7464772462844849,0.6742251515388489,0.5333333611488342,0.5882353186607361,0.5333333611488342,1.1215686798095703,0.5555555820465088,0.625,0.6517857313156128,512,16,2.4842626871677858e-05,50,sum,7,,
-2,random,1298,324,0.8002466091245376,0.1997533908754624,0.5069337442218799,0.4930662557781202,0.5061728395061729,0.49382716049382713,0.5333333333333333,0.4666666666666667,59,155,,0.41571295261383057,0.8240740895271301,0.8366762399673462,0.8240740895271301,1.660750389099121,0.7891891598701477,0.8902438879013062,0.9030868411064148,0.7664587497711182,0.46666666865348816,0.4285714328289032,0.46666666865348816,0.8952381014823914,0.5,0.375,0.5535714030265808,768,8,1.2819789243752108e-05,50,concat,14,,
-2,random,1298,324,0.8002466091245376,0.1997533908754624,0.5069337442218799,0.4930662557781202,0.5061728395061729,0.49382716049382713,0.5333333333333333,0.4666666666666667,59,155,disabled e3,0.42146432399749756,0.8395061492919922,0.8404908180236816,0.8395061492919922,1.6799969673156738,0.845678985118866,0.8353658318519592,0.9046875238418579,1.0347933769226074,0.6666666865348816,0.6153846383094788,0.6666666865348816,1.2820513248443604,0.800000011920929,0.5,0.5714285373687744,768,8,1.2819789243752108e-05,50,concat,14,,
-2,random,1298,324,0.8002466091245376,0.1997533908754624,0.5069337442218799,0.4930662557781202,0.5061728395061729,0.49382716049382713,0.5333333333333333,0.4666666666666667,59,155,disabled poi e3 smiles,0.652415931224823,0.6296296119689941,0.6026490330696106,0.6296296119689941,1.23227858543396,0.6594203114509583,0.5548780560493469,0.6775152683258057,0.6726075410842896,0.5333333611488342,0.5882353186607361,0.5333333611488342,1.1215686798095703,0.5555555820465088,0.625,0.6428571343421936,768,8,1.2819789243752108e-05,50,concat,14,,
-3,random,1298,324,0.8002466091245376,0.1997533908754624,0.5069337442218799,0.4930662557781202,0.5061728395061729,0.49382716049382713,0.5333333333333333,0.4666666666666667,62,150,,0.4444005489349365,0.7808641791343689,0.8011204600334167,0.7808641791343689,1.5819846391677856,0.7409326434135437,0.8719512224197388,0.8887576460838318,0.6027230024337769,0.6666666865348816,0.7058823704719543,0.6666666865348816,1.372549057006836,0.6666666865348816,0.75,0.7321428656578064,768,8,1.106118419161936e-05,20,concat,12,,
-3,random,1298,324,0.8002466091245376,0.1997533908754624,0.5069337442218799,0.4930662557781202,0.5061728395061729,0.49382716049382713,0.5333333333333333,0.4666666666666667,62,150,disabled e3,0.4490931034088135,0.8209876418113708,0.8176100850105286,0.8209876418113708,1.6385977268218994,0.8441558480262756,0.792682945728302,0.8964557647705078,0.7599805593490601,0.6000000238418579,0.5,0.6000000238418579,1.100000023841858,0.75,0.375,0.7678571343421936,768,8,1.106118419161936e-05,20,concat,12,,
-3,random,1298,324,0.8002466091245376,0.1997533908754624,0.5069337442218799,0.4930662557781202,0.5061728395061729,0.49382716049382713,0.5333333333333333,0.4666666666666667,62,150,disabled poi e3 smiles,0.5883299708366394,0.6882715821266174,0.6985074877738953,0.6882715821266174,1.3867790699005127,0.6842105388641357,0.7134146094322205,0.7600037455558777,0.6742295026779175,0.46666666865348816,0.5555555820465088,0.46666666865348816,1.0222222805023193,0.5,0.625,0.6696428656578064,768,8,1.106118419161936e-05,20,concat,12,,
-4,random,1298,324,0.8002466091245376,0.1997533908754624,0.5069337442218799,0.4930662557781202,0.5061728395061729,0.49382716049382713,0.5333333333333333,0.4666666666666667,56,149,,0.5090140104293823,0.7469135522842407,0.7354838848114014,0.7469135522842407,1.482397437095642,0.7808219194412231,0.6951219439506531,0.8400533199310303,0.7724425196647644,0.6000000238418579,0.5,0.6000000238418579,1.100000023841858,0.75,0.375,0.625,512,16,1.9327271889965664e-05,10,concat,4,,
-4,random,1298,324,0.8002466091245376,0.1997533908754624,0.5069337442218799,0.4930662557781202,0.5061728395061729,0.49382716049382713,0.5333333333333333,0.4666666666666667,56,149,disabled e3,0.5934361219406128,0.7746913433074951,0.7920227646827698,0.7746913433074951,1.5667140483856201,0.7433155179023743,0.8475610017776489,0.8477514982223511,0.8298271298408508,0.6000000238418579,0.6666666865348816,0.6000000238418579,1.2666666507720947,0.6000000238418579,0.75,0.6964285373687744,512,16,1.9327271889965664e-05,10,concat,4,,
-4,random,1298,324,0.8002466091245376,0.1997533908754624,0.5069337442218799,0.4930662557781202,0.5061728395061729,0.49382716049382713,0.5333333333333333,0.4666666666666667,56,149,disabled poi e3 smiles,0.6415997743606567,0.6327160596847534,0.6570605039596558,0.6327160596847534,1.2897765636444092,0.6229507923126221,0.6951219439506531,0.6886814832687378,0.6668312549591064,0.46666666865348816,0.5555555820465088,0.46666666865348816,1.0222222805023193,0.5,0.625,0.6517857313156128,512,16,1.9327271889965664e-05,10,concat,4,,
-0,uniprot,1037,585,0.6393341553637485,0.36066584463625156,0.5255544840887174,0.47444551591128253,0.4735042735042735,0.5264957264957265,0.5333333333333333,0.4666666666666667,0,104,,0.6834592819213867,0.5179487466812134,0.5137931108474731,0.5179487466812134,1.0317418575286865,0.4917491674423218,0.5379061102867126,0.5799556970596313,0.6940646767616272,0.6000000238418579,0.625,0.6000000238418579,1.225000023841858,0.625,0.625,0.6071428656578064,256,32,1.0923137052616867e-05,50,concat,14,66.0,21.0
-0,uniprot,1037,585,0.6393341553637485,0.36066584463625156,0.5255544840887174,0.47444551591128253,0.4735042735042735,0.5264957264957265,0.5333333333333333,0.4666666666666667,0,104,disabled e3,1.0321234464645386,0.5880342125892639,0.5641952753067017,0.5880342125892639,1.1522295475006104,0.5652173757553101,0.5631768703460693,0.6329938173294067,0.7793805599212646,0.6666666865348816,0.6153846383094788,0.6666666865348816,1.2820513248443604,0.800000011920929,0.5,0.75,256,32,1.0923137052616867e-05,50,concat,14,66.0,21.0
-0,uniprot,1037,585,0.6393341553637485,0.36066584463625156,0.5255544840887174,0.47444551591128253,0.4735042735042735,0.5264957264957265,0.5333333333333333,0.4666666666666667,0,104,disabled poi e3 smiles,0.7277403473854065,0.5572649836540222,0.4257206320762634,0.5572649836540222,0.9829856157302856,0.5517241358757019,0.3465704023838043,0.5804948806762695,0.7155395150184631,0.5333333611488342,0.5333333611488342,0.5333333611488342,1.0666667222976685,0.5714285969734192,0.5,0.5267857313156128,256,32,1.0923137052616867e-05,50,concat,14,66.0,21.0
-1,uniprot,1259,363,0.7762022194821209,0.22379778051787916,0.5250198570293884,0.4749801429706116,0.44352617079889806,0.5564738292011019,0.5333333333333333,0.4666666666666667,0,17,,0.7149838209152222,0.5206611752510071,0.5112359523773193,0.5206611752510071,1.0318970680236816,0.46666666865348816,0.5652173757553101,0.546337902545929,0.691841185092926,0.5333333611488342,0.6666666865348816,0.5333333611488342,1.2000000476837158,0.5384615659713745,0.875,0.6785714030265808,256,32,1.3777265465739277e-05,20,sum,14,73.0,14.0
-1,uniprot,1259,363,0.7762022194821209,0.22379778051787916,0.5250198570293884,0.4749801429706116,0.44352617079889806,0.5564738292011019,0.5333333333333333,0.4666666666666667,0,17,disabled e3,1.267195463180542,0.586776852607727,0.625,0.586776852607727,1.211776852607727,0.5230125784873962,0.7763975262641907,0.6386138796806335,0.8783247470855713,0.5333333611488342,0.5333333611488342,0.5333333611488342,1.0666667222976685,0.5714285969734192,0.5,0.6071428656578064,256,32,1.3777265465739277e-05,20,sum,14,73.0,14.0
-1,uniprot,1259,363,0.7762022194821209,0.22379778051787916,0.5250198570293884,0.4749801429706116,0.44352617079889806,0.5564738292011019,0.5333333333333333,0.4666666666666667,0,17,disabled poi e3 smiles,0.7607390880584717,0.6666666865348816,0.7070217728614807,0.6666666865348816,1.3736884593963623,0.579365074634552,0.9068322777748108,0.7285222411155701,0.659860372543335,0.5333333611488342,0.5882353186607361,0.5333333611488342,1.1215686798095703,0.5555555820465088,0.625,0.6160714030265808,256,32,1.3777265465739277e-05,20,sum,14,73.0,14.0
-2,uniprot,1471,151,0.906905055487053,0.09309494451294698,0.4983004758667573,0.5016995241332427,0.5894039735099338,0.4105960264900662,0.5333333333333333,0.4666666666666667,0,4,,0.7125080227851868,0.6490066051483154,0.678787887096405,0.6490066051483154,1.3277945518493652,0.7368420958518982,0.6292135119438171,0.6248641014099121,0.7016687393188477,0.6666666865348816,0.6666666865348816,0.6666666865348816,1.3333333730697632,0.7142857313156128,0.625,0.625,256,8,1.5956700210656615e-05,10,sum,10,74.0,13.0
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reports/cv_report_hparam_search_5-splits_active-or_fp224.csv

@@ -1,106 +0,0 @@
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-0,random,1297,325,0.7996300863131935,0.2003699136868064,0.5065535851966075,0.49344641480339246,0.5076923076923077,0.49230769230769234,0.5333333333333333,0.4666666666666667,60,154,disabled cell,0.511199414730072,0.7538461685180664,0.7752808928489685,0.7538461685180664,1.5291271209716797,0.7225130796432495,0.8363636136054993,0.8272537589073181,0.7168314456939697,0.6000000238418579,0.5714285969734192,0.6000000238418579,1.1714286804199219,0.6666666865348816,0.5,0.6785714030265808,768,8,0.00021558222998245048,0.21814294183353802,sum,6,,
-0,random,1297,325,0.7996300863131935,0.2003699136868064,0.5065535851966075,0.49344641480339246,0.5076923076923077,0.49230769230769234,0.5333333333333333,0.4666666666666667,60,154,disabled poi e3 smiles,0.6111315488815308,0.6830769181251526,0.6709265112876892,0.6830769181251526,1.3540034294128418,0.7094594836235046,0.6363636255264282,0.7258901596069336,0.6814109683036804,0.5333333611488342,0.5882353186607361,0.5333333611488342,1.1215686798095703,0.5555555820465088,0.625,0.6339285373687744,768,8,0.00021558222998245048,0.21814294183353802,sum,6,,
-0,random,1297,325,0.7996300863131935,0.2003699136868064,0.5065535851966075,0.49344641480339246,0.5076923076923077,0.49230769230769234,0.5333333333333333,0.4666666666666667,60,154,disabled poi e3 cell,0.6126752495765686,0.6738461256027222,0.6267605423927307,0.6738461256027222,1.3006067276000977,0.7478991746902466,0.539393961429596,0.7498863935470581,0.7672330141067505,0.5333333611488342,0.5333333611488342,0.5333333611488342,1.0666667222976685,0.5714285969734192,0.5,0.5357142686843872,768,8,0.00021558222998245048,0.21814294183353802,sum,6,,
-1,random,1297,325,0.7996300863131935,0.2003699136868064,0.5065535851966075,0.49344641480339246,0.5076923076923077,0.49230769230769234,0.5333333333333333,0.4666666666666667,61,169,,0.4814338684082031,0.7784615159034729,0.7647058963775635,0.7784615159034729,1.5431673526763916,0.8297872543334961,0.7090908885002136,0.8660417199134827,0.8850536346435547,0.5333333611488342,0.4615384638309479,0.5333333611488342,0.9948718547821045,0.6000000238418579,0.375,0.7678571343421936,768,8,4.363415269628358e-05,0.11144120117953832,concat,5,,
-1,random,1297,325,0.7996300863131935,0.2003699136868064,0.5065535851966075,0.49344641480339246,0.5076923076923077,0.49230769230769234,0.5333333333333333,0.4666666666666667,61,169,disabled smiles,0.5342528820037842,0.7230769395828247,0.7738693356513977,0.7230769395828247,1.4969463348388672,0.6609442234039307,0.9333333373069763,0.7924052476882935,0.6322165131568909,0.6666666865348816,0.6666666865348816,0.6666666865348816,1.3333333730697632,0.7142857313156128,0.625,0.7678571343421936,768,8,4.363415269628358e-05,0.11144120117953832,concat,5,,
-1,random,1297,325,0.7996300863131935,0.2003699136868064,0.5065535851966075,0.49344641480339246,0.5076923076923077,0.49230769230769234,0.5333333333333333,0.4666666666666667,61,169,disabled poi,0.5291935205459595,0.7353846430778503,0.7584269642829895,0.7353846430778503,1.4938116073608398,0.7068063020706177,0.8181818127632141,0.8182765245437622,0.6569517850875854,0.6666666865348816,0.7368420958518982,0.6666666865348816,1.4035087823867798,0.6363636255264282,0.875,0.6964285373687744,768,8,4.363415269628358e-05,0.11144120117953832,concat,5,,
-1,random,1297,325,0.7996300863131935,0.2003699136868064,0.5065535851966075,0.49344641480339246,0.5076923076923077,0.49230769230769234,0.5333333333333333,0.4666666666666667,61,169,disabled e3,0.4867260754108429,0.7507692575454712,0.7624633312225342,0.7507692575454712,1.5132325887680054,0.7386363744735718,0.7878788113594055,0.8374053239822388,0.7647457122802734,0.5333333611488342,0.4615384638309479,0.5333333611488342,0.9948718547821045,0.6000000238418579,0.375,0.6785714626312256,768,8,4.363415269628358e-05,0.11144120117953832,concat,5,,
-1,random,1297,325,0.7996300863131935,0.2003699136868064,0.5065535851966075,0.49344641480339246,0.5076923076923077,0.49230769230769234,0.5333333333333333,0.4666666666666667,61,169,disabled cell,0.5069183111190796,0.7292307615280151,0.7317073345184326,0.7292307615280151,1.4609380960464478,0.7361963391304016,0.7272727489471436,0.8246970176696777,0.7863703370094299,0.6000000238418579,0.5,0.6000000238418579,1.100000023841858,0.75,0.375,0.6607142686843872,768,8,4.363415269628358e-05,0.11144120117953832,concat,5,,
-1,random,1297,325,0.7996300863131935,0.2003699136868064,0.5065535851966075,0.49344641480339246,0.5076923076923077,0.49230769230769234,0.5333333333333333,0.4666666666666667,61,169,disabled poi e3 smiles,0.5972681045532227,0.6769230961799622,0.6769230961799622,0.6769230961799622,1.3538461923599243,0.6875,0.6666666865348816,0.7443939447402954,0.6814624667167664,0.5333333611488342,0.5882353186607361,0.5333333611488342,1.1215686798095703,0.5555555820465088,0.625,0.6517857313156128,768,8,4.363415269628358e-05,0.11144120117953832,concat,5,,
-1,random,1297,325,0.7996300863131935,0.2003699136868064,0.5065535851966075,0.49344641480339246,0.5076923076923077,0.49230769230769234,0.5333333333333333,0.4666666666666667,61,169,disabled poi e3 cell,0.5828437805175781,0.7015384435653687,0.7204610705375671,0.7015384435653687,1.421999454498291,0.6868131756782532,0.7575757503509521,0.7646401524543762,0.7006523013114929,0.6000000238418579,0.625,0.6000000238418579,1.225000023841858,0.625,0.625,0.5892857313156128,768,8,4.363415269628358e-05,0.11144120117953832,concat,5,,
-2,random,1298,324,0.8002466091245376,0.1997533908754624,0.5069337442218799,0.4930662557781202,0.5061728395061729,0.49382716049382713,0.5333333333333333,0.4666666666666667,59,155,,0.41145554184913635,0.8271604776382446,0.8303030133247375,0.8271604776382446,1.657463550567627,0.8253012299537659,0.8353658318519592,0.8987804651260376,0.7613025903701782,0.6666666865348816,0.6666666865348816,0.6666666865348816,1.3333333730697632,0.7142857313156128,0.625,0.7321428060531616,768,16,0.00012389351646136998,0.44349307994898846,concat,8,,
-2,random,1298,324,0.8002466091245376,0.1997533908754624,0.5069337442218799,0.4930662557781202,0.5061728395061729,0.49382716049382713,0.5333333333333333,0.4666666666666667,59,155,disabled smiles,0.5532544255256653,0.6913580298423767,0.6894409656524658,0.6913580298423767,1.3807990550994873,0.702531635761261,0.6768292784690857,0.7775533199310303,0.6568361520767212,0.7333333492279053,0.7142857313156128,0.7333333492279053,1.447619080543518,0.8333333134651184,0.625,0.7857142686843872,768,16,0.00012389351646136998,0.44349307994898846,concat,8,,
-2,random,1298,324,0.8002466091245376,0.1997533908754624,0.5069337442218799,0.4930662557781202,0.5061728395061729,0.49382716049382713,0.5333333333333333,0.4666666666666667,59,155,disabled poi,0.5401307344436646,0.7222222089767456,0.7383720874786377,0.7222222089767456,1.4605942964553833,0.7055555582046509,0.7743902206420898,0.8021341562271118,0.6462047696113586,0.6666666865348816,0.7368420958518982,0.6666666865348816,1.4035087823867798,0.6363636255264282,0.875,0.625,768,16,0.00012389351646136998,0.44349307994898846,concat,8,,
-2,random,1298,324,0.8002466091245376,0.1997533908754624,0.5069337442218799,0.4930662557781202,0.5061728395061729,0.49382716049382713,0.5333333333333333,0.4666666666666667,59,155,disabled e3,0.48140838742256165,0.7808641791343689,0.798866868019104,0.7808641791343689,1.5797309875488281,0.7460317611694336,0.8597561120986938,0.8565167188644409,0.7080538868904114,0.6000000238418579,0.5714285969734192,0.6000000238418579,1.1714286804199219,0.6666666865348816,0.5,0.7142857313156128,768,16,0.00012389351646136998,0.44349307994898846,concat,8,,
-2,random,1298,324,0.8002466091245376,0.1997533908754624,0.5069337442218799,0.4930662557781202,0.5061728395061729,0.49382716049382713,0.5333333333333333,0.4666666666666667,59,155,disabled cell,0.5144747495651245,0.7345678806304932,0.7152317762374878,0.7345678806304932,1.449799656867981,0.782608687877655,0.6585366129875183,0.8338986039161682,0.8569839000701904,0.5333333611488342,0.3636363744735718,0.5333333611488342,0.896969735622406,0.6666666865348816,0.25,0.625,768,16,0.00012389351646136998,0.44349307994898846,concat,8,,
-2,random,1298,324,0.8002466091245376,0.1997533908754624,0.5069337442218799,0.4930662557781202,0.5061728395061729,0.49382716049382713,0.5333333333333333,0.4666666666666667,59,155,disabled poi e3 smiles,0.6534557342529297,0.6388888955116272,0.6285714507102966,0.6388888955116272,1.2674603462219238,0.6556291580200195,0.6036585569381714,0.6788872480392456,0.6995866894721985,0.46666666865348816,0.5555555820465088,0.46666666865348816,1.0222222805023193,0.5,0.625,0.5892857313156128,768,16,0.00012389351646136998,0.44349307994898846,concat,8,,
-2,random,1298,324,0.8002466091245376,0.1997533908754624,0.5069337442218799,0.4930662557781202,0.5061728395061729,0.49382716049382713,0.5333333333333333,0.4666666666666667,59,155,disabled poi e3 cell,0.5595309138298035,0.6913580298423767,0.7340425252914429,0.6913580298423767,1.4254004955291748,0.650943398475647,0.8414633870124817,0.8058498501777649,0.6260077953338623,0.6666666865348816,0.7058823704719543,0.6666666865348816,1.372549057006836,0.6666666865348816,0.75,0.7321428060531616,768,16,0.00012389351646136998,0.44349307994898846,concat,8,,
-3,random,1298,324,0.8002466091245376,0.1997533908754624,0.5069337442218799,0.4930662557781202,0.5061728395061729,0.49382716049382713,0.5333333333333333,0.4666666666666667,62,150,,0.4408411681652069,0.8024691343307495,0.8128654956817627,0.8024691343307495,1.6153346300125122,0.7808988690376282,0.8475610017776489,0.8985518217086792,1.1903870105743408,0.7333333492279053,0.75,0.7333333492279053,1.4833333492279053,0.75,0.75,0.7142857313156128,768,32,0.0003494929664720072,0.1701656196182082,concat,11,,
-3,random,1298,324,0.8002466091245376,0.1997533908754624,0.5069337442218799,0.4930662557781202,0.5061728395061729,0.49382716049382713,0.5333333333333333,0.4666666666666667,62,150,disabled smiles,0.5397360324859619,0.7067901492118835,0.7382920384407043,0.7067901492118835,1.445082187652588,0.6733668446540833,0.8170731663703918,0.7916158437728882,0.6888829469680786,0.7333333492279053,0.7142857313156128,0.7333333492279053,1.447619080543518,0.8333333134651184,0.625,0.7857142686843872,768,32,0.0003494929664720072,0.1701656196182082,concat,11,,
-3,random,1298,324,0.8002466091245376,0.1997533908754624,0.5069337442218799,0.4930662557781202,0.5061728395061729,0.49382716049382713,0.5333333333333333,0.4666666666666667,62,150,disabled poi,0.5014042258262634,0.7592592835426331,0.7719298005104065,0.7592592835426331,1.5311890840530396,0.7415730357170105,0.8048780560493469,0.8396341800689697,0.6043234467506409,0.7333333492279053,0.7777777910232544,0.7333333492279053,1.5111111402511597,0.699999988079071,0.875,0.7142857313156128,768,32,0.0003494929664720072,0.1701656196182082,concat,11,,
-3,random,1298,324,0.8002466091245376,0.1997533908754624,0.5069337442218799,0.4930662557781202,0.5061728395061729,0.49382716049382713,0.5333333333333333,0.4666666666666667,62,150,disabled e3,0.4935905635356903,0.7561728358268738,0.7476038336753845,0.7561728358268738,1.5037766695022583,0.7852349281311035,0.7134146094322205,0.8431402444839478,0.7629181742668152,0.6000000238418579,0.5,0.6000000238418579,1.100000023841858,0.75,0.375,0.7321428060531616,768,32,0.0003494929664720072,0.1701656196182082,concat,11,,
-3,random,1298,324,0.8002466091245376,0.1997533908754624,0.5069337442218799,0.4930662557781202,0.5061728395061729,0.49382716049382713,0.5333333333333333,0.4666666666666667,62,150,disabled cell,0.5103902220726013,0.7469135522842407,0.7709497213363647,0.7469135522842407,1.5178632736206055,0.7113401889801025,0.8414633870124817,0.8246760368347168,0.6878737807273865,0.6000000238418579,0.5714285969734192,0.6000000238418579,1.1714286804199219,0.6666666865348816,0.5,0.75,768,32,0.0003494929664720072,0.1701656196182082,concat,11,,
-3,random,1298,324,0.8002466091245376,0.1997533908754624,0.5069337442218799,0.4930662557781202,0.5061728395061729,0.49382716049382713,0.5333333333333333,0.4666666666666667,62,150,disabled poi e3 smiles,0.5856629014015198,0.6851851940155029,0.6946107745170593,0.6851851940155029,1.379796028137207,0.6823529601097107,0.707317054271698,0.7586890459060669,0.6770604252815247,0.46666666865348816,0.5555555820465088,0.46666666865348816,1.0222222805023193,0.5,0.625,0.6339285373687744,768,32,0.0003494929664720072,0.1701656196182082,concat,11,,
-3,random,1298,324,0.8002466091245376,0.1997533908754624,0.5069337442218799,0.4930662557781202,0.5061728395061729,0.49382716049382713,0.5333333333333333,0.4666666666666667,62,150,disabled poi e3 cell,0.5646131634712219,0.6728395223617554,0.6971428394317627,0.6728395223617554,1.369982361793518,0.6559139490127563,0.7439024448394775,0.7830983400344849,0.6919853687286377,0.6666666865348816,0.7058823704719543,0.6666666865348816,1.372549057006836,0.6666666865348816,0.75,0.6428571939468384,768,32,0.0003494929664720072,0.1701656196182082,concat,11,,
-4,random,1298,324,0.8002466091245376,0.1997533908754624,0.5069337442218799,0.4930662557781202,0.5061728395061729,0.49382716049382713,0.5333333333333333,0.4666666666666667,56,149,,0.713790774345398,0.7160493731498718,0.7676767706871033,0.7160493731498718,1.483726143836975,0.6551724076271057,0.9268292784690857,0.8432927131652832,1.1610974073410034,0.6666666865348816,0.7058823704719543,0.6666666865348816,1.372549057006836,0.6666666865348816,0.75,0.6428571343421936,768,32,0.00033628883723254893,0.20428587535736228,concat,3,,
-4,random,1298,324,0.8002466091245376,0.1997533908754624,0.5069337442218799,0.4930662557781202,0.5061728395061729,0.49382716049382713,0.5333333333333333,0.4666666666666667,56,149,disabled smiles,0.5875008702278137,0.6419752836227417,0.658823549747467,0.6419752836227417,1.3007988929748535,0.6363636255264282,0.6829268336296082,0.7337080836296082,0.7043642401695251,0.6666666865348816,0.6666666865348816,0.6666666865348816,1.3333333730697632,0.7142857313156128,0.625,0.7857142686843872,768,32,0.00033628883723254893,0.20428587535736228,concat,3,,
-4,random,1298,324,0.8002466091245376,0.1997533908754624,0.5069337442218799,0.4930662557781202,0.5061728395061729,0.49382716049382713,0.5333333333333333,0.4666666666666667,56,149,disabled poi,0.5988944172859192,0.6759259104728699,0.7042253613471985,0.6759259104728699,1.3801512718200684,0.6544502377510071,0.7621951103210449,0.7591654062271118,0.6572862267494202,0.6000000238418579,0.699999988079071,0.6000000238418579,1.2999999523162842,0.5833333134651184,0.875,0.7142857313156128,768,32,0.00033628883723254893,0.20428587535736228,concat,3,,
-4,random,1298,324,0.8002466091245376,0.1997533908754624,0.5069337442218799,0.4930662557781202,0.5061728395061729,0.49382716049382713,0.5333333333333333,0.4666666666666667,56,149,disabled e3,0.5713839530944824,0.6975308656692505,0.7379679083824158,0.6975308656692505,1.4354987144470215,0.6571428775787354,0.8414633870124817,0.7863566875457764,0.6891523599624634,0.6000000238418579,0.5714285969734192,0.6000000238418579,1.1714286804199219,0.6666666865348816,0.5,0.6607142686843872,768,32,0.00033628883723254893,0.20428587535736228,concat,3,,
-4,random,1298,324,0.8002466091245376,0.1997533908754624,0.5069337442218799,0.4930662557781202,0.5061728395061729,0.49382716049382713,0.5333333333333333,0.4666666666666667,56,149,disabled cell,0.5920383334159851,0.6820987462997437,0.6360424160957336,0.6820987462997437,1.318141222000122,0.756302535533905,0.5487805008888245,0.7759527564048767,0.8513121008872986,0.6000000238418579,0.5,0.6000000238418579,1.100000023841858,0.75,0.375,0.6071428656578064,768,32,0.00033628883723254893,0.20428587535736228,concat,3,,
-4,random,1298,324,0.8002466091245376,0.1997533908754624,0.5069337442218799,0.4930662557781202,0.5061728395061729,0.49382716049382713,0.5333333333333333,0.4666666666666667,56,149,disabled poi e3 smiles,0.6441828608512878,0.6265432238578796,0.6492753624916077,0.6265432238578796,1.2758185863494873,0.6187845468521118,0.6829268336296082,0.6867759227752686,0.6747723817825317,0.46666666865348816,0.5555555820465088,0.46666666865348816,1.0222222805023193,0.5,0.625,0.6160714626312256,768,32,0.00033628883723254893,0.20428587535736228,concat,3,,
-4,random,1298,324,0.8002466091245376,0.1997533908754624,0.5069337442218799,0.4930662557781202,0.5061728395061729,0.49382716049382713,0.5333333333333333,0.4666666666666667,56,149,disabled poi e3 cell,0.62989342212677,0.645061731338501,0.6075085401535034,0.645061731338501,1.2525702714920044,0.6899224519729614,0.542682945728302,0.7136433124542236,0.6501806378364563,0.6666666865348816,0.6153846383094788,0.6666666865348816,1.2820513248443604,0.800000011920929,0.5,0.6964285373687744,768,32,0.00033628883723254893,0.20428587535736228,concat,3,,
-0,uniprot,1037,585,0.6393341553637485,0.36066584463625156,0.5255544840887174,0.47444551591128253,0.4735042735042735,0.5264957264957265,0.5333333333333333,0.4666666666666667,0,104,,0.6808456182479858,0.5931624174118042,0.6020066738128662,0.5931624174118042,1.1951690912246704,0.5607476830482483,0.6498194932937622,0.6346230506896973,0.6990493535995483,0.4000000059604645,0.4000000059604645,0.4000000059604645,0.800000011920929,0.4285714328289032,0.375,0.4464285671710968,768,16,1.2081603988758057e-05,0.6346490265963785,concat,15,66.0,21.0
-0,uniprot,1037,585,0.6393341553637485,0.36066584463625156,0.5255544840887174,0.47444551591128253,0.4735042735042735,0.5264957264957265,0.5333333333333333,0.4666666666666667,0,104,disabled smiles,0.7657451629638672,0.5846154093742371,0.49896907806396484,0.5846154093742371,1.0835845470428467,0.5817307829856873,0.4368230998516083,0.6293485164642334,0.7018308043479919,0.7333333492279053,0.7142857313156128,0.7333333492279053,1.447619080543518,0.8333333134651184,0.625,0.7142857313156128,768,16,1.2081603988758057e-05,0.6346490265963785,concat,15,66.0,21.0
-0,uniprot,1037,585,0.6393341553637485,0.36066584463625156,0.5255544840887174,0.47444551591128253,0.4735042735042735,0.5264957264957265,0.5333333333333333,0.4666666666666667,0,104,disabled poi,0.8514882922172546,0.5623931884765625,0.4920634925365448,0.5623931884765625,1.0544567108154297,0.5462555289268494,0.4476534426212311,0.5529091954231262,0.7407769560813904,0.46666666865348816,0.4285714328289032,0.46666666865348816,0.8952381014823914,0.5,0.375,0.5892857313156128,768,16,1.2081603988758057e-05,0.6346490265963785,concat,15,66.0,21.0
-0,uniprot,1037,585,0.6393341553637485,0.36066584463625156,0.5255544840887174,0.47444551591128253,0.4735042735042735,0.5264957264957265,0.5333333333333333,0.4666666666666667,0,104,disabled e3,0.7533477544784546,0.5658119916915894,0.5665528774261475,0.5658119916915894,1.1323648691177368,0.53721684217453,0.5992779731750488,0.6168303489685059,0.7795660495758057,0.5333333611488342,0.4615384638309479,0.5333333611488342,0.9948718547821045,0.6000000238418579,0.375,0.6071428656578064,768,16,1.2081603988758057e-05,0.6346490265963785,concat,15,66.0,21.0
-0,uniprot,1037,585,0.6393341553637485,0.36066584463625156,0.5255544840887174,0.47444551591128253,0.4735042735042735,0.5264957264957265,0.5333333333333333,0.4666666666666667,0,104,disabled cell,0.7547990083694458,0.5692307949066162,0.5785953402519226,0.5692307949066162,1.1478261947631836,0.5389407873153687,0.6245487332344055,0.617516040802002,0.7777549028396606,0.5333333611488342,0.4615384638309479,0.5333333611488342,0.9948718547821045,0.6000000238418579,0.375,0.6964285373687744,768,16,1.2081603988758057e-05,0.6346490265963785,concat,15,66.0,21.0
-0,uniprot,1037,585,0.6393341553637485,0.36066584463625156,0.5255544840887174,0.47444551591128253,0.4735042735042735,0.5264957264957265,0.5333333333333333,0.4666666666666667,0,104,disabled poi e3 smiles,0.7244386076927185,0.6051282286643982,0.4000000059604645,0.6051282286643982,1.005128264427185,0.7129629850387573,0.2779783308506012,0.5943843722343445,0.6999920606613159,0.5333333611488342,0.4615384638309479,0.5333333611488342,0.9948718547821045,0.6000000238418579,0.375,0.5803571343421936,768,16,1.2081603988758057e-05,0.6346490265963785,concat,15,66.0,21.0
-0,uniprot,1037,585,0.6393341553637485,0.36066584463625156,0.5255544840887174,0.47444551591128253,0.4735042735042735,0.5264957264957265,0.5333333333333333,0.4666666666666667,0,104,disabled poi e3 cell,0.8745383620262146,0.5145299434661865,0.6109589338302612,0.5145299434661865,1.1254888772964478,0.4922737181186676,0.8050541281700134,0.5528212785720825,0.8036391735076904,0.5333333611488342,0.6315789222717285,0.5333333611488342,1.164912223815918,0.5454545617103577,0.75,0.5357142686843872,768,16,1.2081603988758057e-05,0.6346490265963785,concat,15,66.0,21.0
-1,uniprot,1259,363,0.7762022194821209,0.22379778051787916,0.5250198570293884,0.4749801429706116,0.44352617079889806,0.5564738292011019,0.5333333333333333,0.4666666666666667,0,17,,0.817398190498352,0.6170799136161804,0.6890380382537842,0.6170799136161804,1.3061180114746094,0.5384615659713745,0.95652174949646,0.7225262522697449,0.6678908467292786,0.6666666865348816,0.6666666865348816,0.6666666865348816,1.3333333730697632,0.7142857313156128,0.625,0.6607142686843872,512,32,5.1565738326173805e-05,0.23595514735588716,concat,7,73.0,14.0
-1,uniprot,1259,363,0.7762022194821209,0.22379778051787916,0.5250198570293884,0.4749801429706116,0.44352617079889806,0.5564738292011019,0.5333333333333333,0.4666666666666667,0,17,disabled smiles,0.6477090120315552,0.7134986519813538,0.7412935495376587,0.7134986519813538,1.4547922611236572,0.6182572841644287,0.9254658222198486,0.7545199990272522,0.7250201106071472,0.6000000238418579,0.5714285969734192,0.6000000238418579,1.1714286804199219,0.6666666865348816,0.5,0.6964285373687744,512,32,5.1565738326173805e-05,0.23595514735588716,concat,7,73.0,14.0
-1,uniprot,1259,363,0.7762022194821209,0.22379778051787916,0.5250198570293884,0.4749801429706116,0.44352617079889806,0.5564738292011019,0.5333333333333333,0.4666666666666667,0,17,disabled poi,0.8592435121536255,0.4876033067703247,0.5571428537368774,0.4876033067703247,1.0447461605072021,0.4517374634742737,0.7267080545425415,0.5501813888549805,0.5492943525314331,0.6666666865348816,0.6153846383094788,0.6666666865348816,1.2820513248443604,0.800000011920929,0.5,0.8214285373687744,512,32,5.1565738326173805e-05,0.23595514735588716,concat,7,73.0,14.0
-1,uniprot,1259,363,0.7762022194821209,0.22379778051787916,0.5250198570293884,0.4749801429706116,0.44352617079889806,0.5564738292011019,0.5333333333333333,0.4666666666666667,0,17,disabled e3,0.6678435802459717,0.7190082669258118,0.7357512712478638,0.7190082669258118,1.4547595977783203,0.6311110854148865,0.8819875717163086,0.7436196804046631,0.7148652672767639,0.6000000238418579,0.5,0.6000000238418579,1.100000023841858,0.75,0.375,0.7142857313156128,512,32,5.1565738326173805e-05,0.23595514735588716,concat,7,73.0,14.0
-1,uniprot,1259,363,0.7762022194821209,0.22379778051787916,0.5250198570293884,0.4749801429706116,0.44352617079889806,0.5564738292011019,0.5333333333333333,0.4666666666666667,0,17,disabled cell,0.7474579811096191,0.6308540105819702,0.6778846383094788,0.6308540105819702,1.3087387084960938,0.5529412031173706,0.8757764101028442,0.6971741914749146,0.6387401223182678,0.6666666865348816,0.6666666865348816,0.6666666865348816,1.3333333730697632,0.7142857313156128,0.625,0.6607142686843872,512,32,5.1565738326173805e-05,0.23595514735588716,concat,7,73.0,14.0
-1,uniprot,1259,363,0.7762022194821209,0.22379778051787916,0.5250198570293884,0.4749801429706116,0.44352617079889806,0.5564738292011019,0.5333333333333333,0.4666666666666667,0,17,disabled poi e3 smiles,0.7709081768989563,0.6639118194580078,0.7095237970352173,0.6639118194580078,1.373435616493225,0.5752895474433899,0.9254658222198486,0.724032998085022,0.683657705783844,0.4000000059604645,0.5263158082962036,0.4000000059604645,0.9263157844543457,0.4545454680919647,0.625,0.5803571343421936,512,32,5.1565738326173805e-05,0.23595514735588716,concat,7,73.0,14.0
-1,uniprot,1259,363,0.7762022194821209,0.22379778051787916,0.5250198570293884,0.4749801429706116,0.44352617079889806,0.5564738292011019,0.5333333333333333,0.4666666666666667,0,17,disabled poi e3 cell,0.9991732239723206,0.43526169657707214,0.5773195624351501,0.43526169657707214,1.0125812292099,0.43209877610206604,0.8695651888847351,0.4221603572368622,0.6001878380775452,0.6000000238418579,0.699999988079071,0.6000000238418579,1.2999999523162842,0.5833333134651184,0.875,0.7678571343421936,512,32,5.1565738326173805e-05,0.23595514735588716,concat,7,73.0,14.0
-2,uniprot,1471,151,0.906905055487053,0.09309494451294698,0.4983004758667573,0.5016995241332427,0.5894039735099338,0.4105960264900662,0.5333333333333333,0.4666666666666667,0,4,,0.7781628370285034,0.5099337697029114,0.37288135290145874,0.5099337697029114,0.8828151226043701,0.7586206793785095,0.24719101190567017,0.6507792472839355,0.7317829728126526,0.6000000238418579,0.5,0.6000000238418579,1.100000023841858,0.75,0.375,0.75,512,16,2.609230449389315e-05,0.17515540793383313,concat,13,74.0,13.0
-2,uniprot,1471,151,0.906905055487053,0.09309494451294698,0.4983004758667573,0.5016995241332427,0.5894039735099338,0.4105960264900662,0.5333333333333333,0.4666666666666667,0,4,disabled smiles,0.6774863004684448,0.5761589407920837,0.6483516693115234,0.5761589407920837,1.224510669708252,0.6344085931777954,0.6629213690757751,0.6108191609382629,0.6399433612823486,0.7333333492279053,0.7142857313156128,0.7333333492279053,1.447619080543518,0.8333333134651184,0.625,0.7321428060531616,512,16,2.609230449389315e-05,0.17515540793383313,concat,13,74.0,13.0
-2,uniprot,1471,151,0.906905055487053,0.09309494451294698,0.4983004758667573,0.5016995241332427,0.5894039735099338,0.4105960264900662,0.5333333333333333,0.4666666666666667,0,4,disabled poi,0.7752854228019714,0.503311276435852,0.4897959232330322,0.503311276435852,0.9931071996688843,0.6206896305084229,0.40449437499046326,0.5570859313011169,0.6328707933425903,0.7333333492279053,0.75,0.7333333492279053,1.4833333492279053,0.75,0.75,0.7142857313156128,512,16,2.609230449389315e-05,0.17515540793383313,concat,13,74.0,13.0
-2,uniprot,1471,151,0.906905055487053,0.09309494451294698,0.4983004758667573,0.5016995241332427,0.5894039735099338,0.4105960264900662,0.5333333333333333,0.4666666666666667,0,4,disabled e3,0.7267217636108398,0.5827814340591431,0.5987260937690735,0.5827814340591431,1.1815075874328613,0.6911764740943909,0.5280898809432983,0.6252265572547913,0.7384204864501953,0.6666666865348816,0.6666666865348816,0.6666666865348816,1.3333333730697632,0.7142857313156128,0.625,0.6785714626312256,512,16,2.609230449389315e-05,0.17515540793383313,concat,13,74.0,13.0
-2,uniprot,1471,151,0.906905055487053,0.09309494451294698,0.4983004758667573,0.5016995241332427,0.5894039735099338,0.4105960264900662,0.5333333333333333,0.4666666666666667,0,4,disabled cell,0.7527959942817688,0.5894039869308472,0.6172839403152466,0.5894039869308472,1.2066879272460938,0.6849315166473389,0.5617977380752563,0.6131750345230103,0.7198907136917114,0.6000000238418579,0.5714285969734192,0.6000000238418579,1.1714286804199219,0.6666666865348816,0.5,0.7142857313156128,512,16,2.609230449389315e-05,0.17515540793383313,concat,13,74.0,13.0
-2,uniprot,1471,151,0.906905055487053,0.09309494451294698,0.4983004758667573,0.5016995241332427,0.5894039735099338,0.4105960264900662,0.5333333333333333,0.4666666666666667,0,4,disabled poi e3 smiles,0.7852834463119507,0.5364238619804382,0.5977011322975159,0.5364238619804382,1.134124994277954,0.6117647290229797,0.584269642829895,0.5714932680130005,0.6578711271286011,0.5333333611488342,0.6666666865348816,0.5333333611488342,1.2000000476837158,0.5384615659713745,0.875,0.7232142686843872,512,16,2.609230449389315e-05,0.17515540793383313,concat,13,74.0,13.0
-2,uniprot,1471,151,0.906905055487053,0.09309494451294698,0.4983004758667573,0.5016995241332427,0.5894039735099338,0.4105960264900662,0.5333333333333333,0.4666666666666667,0,4,disabled poi e3 cell,0.7294727563858032,0.5496688485145569,0.5405405163764954,0.5496688485145569,1.0902093648910522,0.6779661178588867,0.449438214302063,0.5972272753715515,0.7090991139411926,0.6666666865348816,0.6666666865348816,0.6666666865348816,1.3333333730697632,0.7142857313156128,0.625,0.6428571343421936,512,16,2.609230449389315e-05,0.17515540793383313,concat,13,74.0,13.0
-3,uniprot,1304,318,0.8039457459926017,0.1960542540073983,0.5015337423312883,0.49846625766871167,0.5283018867924528,0.4716981132075472,0.5333333333333333,0.4666666666666667,0,68,,0.6860882043838501,0.5314465165138245,0.49146756529808044,0.5314465165138245,1.0229140520095825,0.5759999752044678,0.4285714328289032,0.5979762077331543,0.6991993188858032,0.5333333611488342,0.5333333611488342,0.5333333611488342,1.0666667222976685,0.5714285969734192,0.5,0.4642857015132904,512,32,1.2716283965868167e-05,0.469016032280924,concat,10,66.0,21.0
-3,uniprot,1304,318,0.8039457459926017,0.1960542540073983,0.5015337423312883,0.49846625766871167,0.5283018867924528,0.4716981132075472,0.5333333333333333,0.4666666666666667,0,68,disabled smiles,0.8884153366088867,0.553459107875824,0.5670731663703918,0.553459107875824,1.1205322742462158,0.581250011920929,0.5535714030265808,0.6192063093185425,0.7526969909667969,0.7333333492279053,0.6666666865348816,0.7333333492279053,1.4000000953674316,1.0,0.5,0.7678571343421936,512,32,1.2716283965868167e-05,0.469016032280924,concat,10,66.0,21.0
-3,uniprot,1304,318,0.8039457459926017,0.1960542540073983,0.5015337423312883,0.49846625766871167,0.5283018867924528,0.4716981132075472,0.5333333333333333,0.4666666666666667,0,68,disabled poi,0.6655875444412231,0.597484290599823,0.6321839094161987,0.597484290599823,1.229668140411377,0.6111111044883728,0.6547619104385376,0.6521825790405273,0.6536721587181091,0.6000000238418579,0.6666666865348816,0.6000000238418579,1.2666666507720947,0.6000000238418579,0.75,0.6607142686843872,512,32,1.2716283965868167e-05,0.469016032280924,concat,10,66.0,21.0
-3,uniprot,1304,318,0.8039457459926017,0.1960542540073983,0.5015337423312883,0.49846625766871167,0.5283018867924528,0.4716981132075472,0.5333333333333333,0.4666666666666667,0,68,disabled e3,0.8934500813484192,0.5817610025405884,0.6006006002426147,0.5817610025405884,1.1823616027832031,0.6060606241226196,0.5952380895614624,0.6084524393081665,0.8040154576301575,0.7333333492279053,0.7142857313156128,0.7333333492279053,1.447619080543518,0.8333333134651184,0.625,0.75,512,32,1.2716283965868167e-05,0.469016032280924,concat,10,66.0,21.0
-3,uniprot,1304,318,0.8039457459926017,0.1960542540073983,0.5015337423312883,0.49846625766871167,0.5283018867924528,0.4716981132075472,0.5333333333333333,0.4666666666666667,0,68,disabled cell,0.9074573516845703,0.5566037893295288,0.5865102410316467,0.5566037893295288,1.1431140899658203,0.5780346989631653,0.5952380895614624,0.6011309027671814,0.8583289980888367,0.5333333611488342,0.3636363744735718,0.5333333611488342,0.896969735622406,0.6666666865348816,0.25,0.6428571343421936,512,32,1.2716283965868167e-05,0.469016032280924,concat,10,66.0,21.0
-3,uniprot,1304,318,0.8039457459926017,0.1960542540073983,0.5015337423312883,0.49846625766871167,0.5283018867924528,0.4716981132075472,0.5333333333333333,0.4666666666666667,0,68,disabled poi e3 smiles,0.6567831635475159,0.5786163806915283,0.5914633870124817,0.5786163806915283,1.1700797080993652,0.606249988079071,0.5773809552192688,0.6457738280296326,0.6942023634910583,0.46666666865348816,0.5555555820465088,0.46666666865348816,1.0222222805023193,0.5,0.625,0.5982142686843872,512,32,1.2716283965868167e-05,0.469016032280924,concat,10,66.0,21.0
-3,uniprot,1304,318,0.8039457459926017,0.1960542540073983,0.5015337423312883,0.49846625766871167,0.5283018867924528,0.4716981132075472,0.5333333333333333,0.4666666666666667,0,68,disabled poi e3 cell,0.7466429471969604,0.5125786066055298,0.3921568691730499,0.5125786066055298,0.9047354459762573,0.5747126340866089,0.2976190447807312,0.6172420978546143,0.662114143371582,0.5333333611488342,0.4615384638309479,0.5333333611488342,0.9948718547821045,0.6000000238418579,0.375,0.6964285373687744,512,32,1.2716283965868167e-05,0.469016032280924,concat,10,66.0,21.0
-4,uniprot,1417,205,0.8736128236744759,0.12638717632552404,0.49047282992237123,0.5095271700776288,0.6195121951219512,0.3804878048780488,0.5333333333333333,0.4666666666666667,0,59,,0.6684699654579163,0.5756097435951233,0.703071653842926,0.5756097435951233,1.2786813974380493,0.6204819083213806,0.8110235929489136,0.540076732635498,0.6706098318099976,0.6666666865348816,0.7058823704719543,0.6666666865348816,1.372549057006836,0.6666666865348816,0.75,0.6071428656578064,768,16,1.0596199284224198e-05,0.1315542788811256,sum,4,69.0,18.0
-4,uniprot,1417,205,0.8736128236744759,0.12638717632552404,0.49047282992237123,0.5095271700776288,0.6195121951219512,0.3804878048780488,0.5333333333333333,0.4666666666666667,0,59,disabled smiles,0.8958898186683655,0.5365853905677795,0.6025104522705078,0.5365853905677795,1.1390957832336426,0.6428571343421936,0.5669291615486145,0.5397234559059143,0.6518396735191345,0.800000011920929,0.800000011920929,0.800000011920929,1.600000023841858,0.8571428656578064,0.75,0.785714328289032,768,16,1.0596199284224198e-05,0.1315542788811256,sum,4,69.0,18.0
-4,uniprot,1417,205,0.8736128236744759,0.12638717632552404,0.49047282992237123,0.5095271700776288,0.6195121951219512,0.3804878048780488,0.5333333333333333,0.4666666666666667,0,59,disabled poi,0.7968298196792603,0.5365853905677795,0.5922746658325195,0.5365853905677795,1.1288599967956543,0.650943398475647,0.5433070659637451,0.5578437447547913,0.7087083458900452,0.6000000238418579,0.5714285969734192,0.6000000238418579,1.1714286804199219,0.6666666865348816,0.5,0.6607142686843872,768,16,1.0596199284224198e-05,0.1315542788811256,sum,4,69.0,18.0
-4,uniprot,1417,205,0.8736128236744759,0.12638717632552404,0.49047282992237123,0.5095271700776288,0.6195121951219512,0.3804878048780488,0.5333333333333333,0.4666666666666667,0,59,disabled e3,0.8901869654655457,0.4731707274913788,0.5178571343421936,0.4731707274913788,0.99102783203125,0.5979381203651428,0.4566929042339325,0.538865327835083,0.9347909092903137,0.5333333611488342,0.4615384638309479,0.5333333611488342,0.9948718547821045,0.6000000238418579,0.375,0.6428571343421936,768,16,1.0596199284224198e-05,0.1315542788811256,sum,4,69.0,18.0
-4,uniprot,1417,205,0.8736128236744759,0.12638717632552404,0.49047282992237123,0.5095271700776288,0.6195121951219512,0.3804878048780488,0.5333333333333333,0.4666666666666667,0,59,disabled cell,0.7486093640327454,0.5853658318519592,0.6351931095123291,0.5853658318519592,1.2205588817596436,0.698113203048706,0.5826771855354309,0.5893397331237793,0.7740308046340942,0.6000000238418579,0.5,0.6000000238418579,1.100000023841858,0.75,0.375,0.7142857313156128,768,16,1.0596199284224198e-05,0.1315542788811256,sum,4,69.0,18.0
-4,uniprot,1417,205,0.8736128236744759,0.12638717632552404,0.49047282992237123,0.5095271700776288,0.6195121951219512,0.3804878048780488,0.5333333333333333,0.4666666666666667,0,59,disabled poi e3 smiles,0.7783341407775879,0.49268293380737305,0.5398229956626892,0.49268293380737305,1.032505989074707,0.6161616444587708,0.4803149700164795,0.4216131865978241,0.6777276396751404,0.6000000238418579,0.625,0.6000000238418579,1.225000023841858,0.625,0.625,0.5803570747375488,768,16,1.0596199284224198e-05,0.1315542788811256,sum,4,69.0,18.0
-4,uniprot,1417,205,0.8736128236744759,0.12638717632552404,0.49047282992237123,0.5095271700776288,0.6195121951219512,0.3804878048780488,0.5333333333333333,0.4666666666666667,0,59,disabled poi e3 cell,0.7196999788284302,0.5609756112098694,0.6715328693389893,0.5609756112098694,1.2325084209442139,0.6258503198623657,0.7244094610214233,0.566575825214386,0.797333300113678,0.6000000238418579,0.6666666865348816,0.6000000238418579,1.2666666507720947,0.6000000238418579,0.75,0.5892857313156128,768,16,1.0596199284224198e-05,0.1315542788811256,sum,4,69.0,18.0
-0,tanimoto,1333,289,0.8218249075215783,0.1781750924784217,0.5138784696174044,0.48612153038259565,0.4740484429065744,0.5259515570934256,0.5333333333333333,0.4666666666666667,48,0,,0.6566728949546814,0.7093425393104553,0.7454545497894287,0.7093425393104553,1.4547970294952393,0.6373056769371033,0.8978102207183838,0.8492605090141296,0.9918283820152283,0.6666666865348816,0.7058823704719543,0.6666666865348816,1.372549057006836,0.6666666865348816,0.75,0.7142857313156128,768,16,0.0002956066784800605,0.39955710232796904,concat,13,145.0,41.0
-0,tanimoto,1333,289,0.8218249075215783,0.1781750924784217,0.5138784696174044,0.48612153038259565,0.4740484429065744,0.5259515570934256,0.5333333333333333,0.4666666666666667,48,0,disabled smiles,0.5969253182411194,0.633217990398407,0.6214285492897034,0.633217990398407,1.2546465396881104,0.6083915829658508,0.6350364685058594,0.713959813117981,0.7185583710670471,0.6666666865348816,0.6666666865348816,0.6666666865348816,1.3333333730697632,0.7142857313156128,0.625,0.7857142686843872,768,16,0.0002956066784800605,0.39955710232796904,concat,13,145.0,41.0
-0,tanimoto,1333,289,0.8218249075215783,0.1781750924784217,0.5138784696174044,0.48612153038259565,0.4740484429065744,0.5259515570934256,0.5333333333333333,0.4666666666666667,48,0,disabled poi,0.5578636527061462,0.7266436219215393,0.7247386574745178,0.7266436219215393,1.4513822793960571,0.6933333277702332,0.7591241002082825,0.7950682044029236,0.6439716219902039,0.6666666865348816,0.7368420958518982,0.6666666865348816,1.4035087823867798,0.6363636255264282,0.875,0.6785714626312256,768,16,0.0002956066784800605,0.39955710232796904,concat,13,145.0,41.0
-0,tanimoto,1333,289,0.8218249075215783,0.1781750924784217,0.5138784696174044,0.48612153038259565,0.4740484429065744,0.5259515570934256,0.5333333333333333,0.4666666666666667,48,0,disabled e3,0.5662842392921448,0.7370242476463318,0.7054263353347778,0.7370242476463318,1.4424505233764648,0.7520661354064941,0.6642335653305054,0.7862563133239746,0.8331516981124878,0.6000000238418579,0.4000000059604645,0.6000000238418579,1.0,1.0,0.25,0.625,768,16,0.0002956066784800605,0.39955710232796904,concat,13,145.0,41.0
-0,tanimoto,1333,289,0.8218249075215783,0.1781750924784217,0.5138784696174044,0.48612153038259565,0.4740484429065744,0.5259515570934256,0.5333333333333333,0.4666666666666667,48,0,disabled cell,0.6099948287010193,0.6401383876800537,0.5593220591545105,0.6401383876800537,1.199460506439209,0.6666666865348816,0.48175182938575745,0.7346811294555664,0.9085233211517334,0.5333333611488342,0.3636363744735718,0.5333333611488342,0.896969735622406,0.6666666865348816,0.25,0.6607142686843872,768,16,0.0002956066784800605,0.39955710232796904,concat,13,145.0,41.0
-0,tanimoto,1333,289,0.8218249075215783,0.1781750924784217,0.5138784696174044,0.48612153038259565,0.4740484429065744,0.5259515570934256,0.5333333333333333,0.4666666666666667,48,0,disabled poi e3 smiles,0.613977313041687,0.6401383876800537,0.6438356041908264,0.6401383876800537,1.2839739322662354,0.6064516305923462,0.6861313581466675,0.7225557565689087,0.6597888469696045,0.46666666865348816,0.5555555820465088,0.46666666865348816,1.0222222805023193,0.5,0.625,0.6071428060531616,768,16,0.0002956066784800605,0.39955710232796904,concat,13,145.0,41.0
-0,tanimoto,1333,289,0.8218249075215783,0.1781750924784217,0.5138784696174044,0.48612153038259565,0.4740484429065744,0.5259515570934256,0.5333333333333333,0.4666666666666667,48,0,disabled poi e3 cell,0.5845813751220703,0.6435986161231995,0.5502183437347412,0.6435986161231995,1.193816900253296,0.6847826242446899,0.45985400676727295,0.7691125869750977,0.6974576115608215,0.5333333611488342,0.5333333611488342,0.5333333611488342,1.0666667222976685,0.5714285969734192,0.5,0.625,768,16,0.0002956066784800605,0.39955710232796904,concat,13,145.0,41.0
-1,tanimoto,1257,365,0.7749691738594328,0.22503082614056721,0.5051710421638823,0.49482895783611774,0.5123287671232877,0.4876712328767123,0.5333333333333333,0.4666666666666667,55,0,,0.5779410600662231,0.7452054619789124,0.7533156275749207,0.7452054619789124,1.498521089553833,0.7473683953285217,0.759358286857605,0.8218921422958374,1.3850903511047363,0.6000000238418579,0.625,0.6000000238418579,1.225000023841858,0.625,0.625,0.625,512,8,0.000700865394396496,0.398201449329416,concat,10,148.0,38.0
-1,tanimoto,1257,365,0.7749691738594328,0.22503082614056721,0.5051710421638823,0.49482895783611774,0.5123287671232877,0.4876712328767123,0.5333333333333333,0.4666666666666667,55,0,disabled smiles,0.5337751507759094,0.7397260069847107,0.7732697129249573,0.7397260069847107,1.512995719909668,0.6982758641242981,0.866310179233551,0.7970017194747925,0.6385128498077393,0.7333333492279053,0.7142857313156128,0.7333333492279053,1.447619080543518,0.8333333134651184,0.625,0.7321428656578064,512,8,0.000700865394396496,0.398201449329416,concat,10,148.0,38.0
-1,tanimoto,1257,365,0.7749691738594328,0.22503082614056721,0.5051710421638823,0.49482895783611774,0.5123287671232877,0.4876712328767123,0.5333333333333333,0.4666666666666667,55,0,disabled poi,0.6397387385368347,0.6547945141792297,0.5987260937690735,0.6547945141792297,1.2535206079483032,0.7401574850082397,0.5026738047599792,0.7415429949760437,0.7528460025787354,0.6666666865348816,0.6666666865348816,0.6666666865348816,1.3333333730697632,0.7142857313156128,0.625,0.5714285373687744,512,8,0.000700865394396496,0.398201449329416,concat,10,148.0,38.0
-1,tanimoto,1257,365,0.7749691738594328,0.22503082614056721,0.5051710421638823,0.49482895783611774,0.5123287671232877,0.4876712328767123,0.5333333333333333,0.4666666666666667,55,0,disabled e3,0.5373277068138123,0.7315068244934082,0.7307692170143127,0.7315068244934082,1.4622759819030762,0.7514124512672424,0.7112299203872681,0.8072913885116577,0.7278484106063843,0.6666666865348816,0.6153846383094788,0.6666666865348816,1.2820513248443604,0.800000011920929,0.5,0.6964285373687744,512,8,0.000700865394396496,0.398201449329416,concat,10,148.0,38.0
-1,tanimoto,1257,365,0.7749691738594328,0.22503082614056721,0.5051710421638823,0.49482895783611774,0.5123287671232877,0.4876712328767123,0.5333333333333333,0.4666666666666667,55,0,disabled cell,0.5791873335838318,0.6630136966705322,0.6495726704597473,0.6630136966705322,1.3125863075256348,0.6951219439506531,0.6096256971359253,0.7688968181610107,0.7327932715415955,0.5333333611488342,0.3636363744735718,0.5333333611488342,0.896969735622406,0.6666666865348816,0.25,0.7321428060531616,512,8,0.000700865394396496,0.398201449329416,concat,10,148.0,38.0
-1,tanimoto,1257,365,0.7749691738594328,0.22503082614056721,0.5051710421638823,0.49482895783611774,0.5123287671232877,0.4876712328767123,0.5333333333333333,0.4666666666666667,55,0,disabled poi e3 smiles,0.6139644384384155,0.6575342416763306,0.6056782603263855,0.6575342416763306,1.2632124423980713,0.7384615540504456,0.5133689641952515,0.7395601272583008,0.7011074423789978,0.6000000238418579,0.625,0.6000000238418579,1.225000023841858,0.625,0.625,0.5089285373687744,512,8,0.000700865394396496,0.398201449329416,concat,10,148.0,38.0
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-2,tanimoto,1218,404,0.750924784217016,0.24907521578298397,0.5032840722495895,0.4967159277504105,0.5173267326732673,0.48267326732673266,0.5333333333333333,0.4666666666666667,56,0,,0.5117613077163696,0.7079207897186279,0.7281106114387512,0.7079207897186279,1.4360313415527344,0.7022222280502319,0.7559808492660522,0.8145625591278076,0.973922848701477,0.46666666865348816,0.4285714328289032,0.46666666865348816,0.8952381014823914,0.5,0.375,0.6785714626312256,768,8,0.0002919672930596561,0.25399714128701256,sum,9,147.0,39.0
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reports/cv_report_hparam_search_5-splits_active-or_fp512.csv

@@ -1,106 +0,0 @@
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-0,random,1297,325,0.7996300863131935,0.2003699136868064,0.5065535851966075,0.49344641480339246,0.5076923076923077,0.49230769230769234,0.5333333333333333,0.4666666666666667,60,154,disabled poi e3 cell,0.5270749926567078,0.766153872013092,0.7777777910232544,0.766153872013092,1.5439317226409912,0.7514124512672424,0.8060606122016907,0.8322348594665527,0.8978579640388489,0.6000000238418579,0.5714285969734192,0.6000000238418579,1.1714286804199219,0.6666666865348816,0.5,0.5357142686843872,256,32,8.754730922153676e-05,0.37472256551941574,sum,10,,
-1,random,1297,325,0.7996300863131935,0.2003699136868064,0.5065535851966075,0.49344641480339246,0.5076923076923077,0.49230769230769234,0.5333333333333333,0.4666666666666667,61,169,,0.4796692430973053,0.818461537361145,0.8269794583320618,0.818461537361145,1.6454410552978516,0.8011363744735718,0.8545454740524292,0.8714962005615234,0.844270646572113,0.6000000238418579,0.625,0.6000000238418579,1.225000023841858,0.625,0.625,0.625,256,16,0.00011260470753032522,0.35464071804416036,concat,5,,
-1,random,1297,325,0.7996300863131935,0.2003699136868064,0.5065535851966075,0.49344641480339246,0.5076923076923077,0.49230769230769234,0.5333333333333333,0.4666666666666667,61,169,disabled smiles,0.5189847350120544,0.7076923251152039,0.7382920384407043,0.7076923251152039,1.4459843635559082,0.6767676472663879,0.8121212124824524,0.7940341234207153,0.6580257415771484,0.6666666865348816,0.6153846383094788,0.6666666865348816,1.2820513248443604,0.800000011920929,0.5,0.7857142686843872,256,16,0.00011260470753032522,0.35464071804416036,concat,5,,
-1,random,1297,325,0.7996300863131935,0.2003699136868064,0.5065535851966075,0.49344641480339246,0.5076923076923077,0.49230769230769234,0.5333333333333333,0.4666666666666667,61,169,disabled poi,0.4950762093067169,0.7815384864807129,0.7687296271324158,0.7815384864807129,1.5502681732177734,0.8309859037399292,0.7151514887809753,0.8669508099555969,1.0465905666351318,0.5333333611488342,0.3636363744735718,0.5333333611488342,0.896969735622406,0.6666666865348816,0.25,0.5535714626312256,256,16,0.00011260470753032522,0.35464071804416036,concat,5,,
-1,random,1297,325,0.7996300863131935,0.2003699136868064,0.5065535851966075,0.49344641480339246,0.5076923076923077,0.49230769230769234,0.5333333333333333,0.4666666666666667,61,169,disabled e3,0.4642307162284851,0.7846153974533081,0.7988505959510803,0.7846153974533081,1.5834660530090332,0.7595628499984741,0.842424213886261,0.8705492615699768,0.7695695161819458,0.5333333611488342,0.5333333611488342,0.5333333611488342,1.0666667222976685,0.5714285969734192,0.5,0.5892857313156128,256,16,0.00011260470753032522,0.35464071804416036,concat,5,,
-1,random,1297,325,0.7996300863131935,0.2003699136868064,0.5065535851966075,0.49344641480339246,0.5076923076923077,0.49230769230769234,0.5333333333333333,0.4666666666666667,61,169,disabled cell,0.467470645904541,0.7784615159034729,0.7831325531005859,0.7784615159034729,1.561594009399414,0.7784430980682373,0.7878788113594055,0.861060619354248,0.8525577783584595,0.46666666865348816,0.3333333432674408,0.46666666865348816,0.800000011920929,0.5,0.25,0.5714285373687744,256,16,0.00011260470753032522,0.35464071804416036,concat,5,,
-1,random,1297,325,0.7996300863131935,0.2003699136868064,0.5065535851966075,0.49344641480339246,0.5076923076923077,0.49230769230769234,0.5333333333333333,0.4666666666666667,61,169,disabled poi e3 smiles,0.6026736497879028,0.6615384817123413,0.6357616186141968,0.6615384817123413,1.297300100326538,0.7007299065589905,0.581818163394928,0.7472727298736572,0.6728233098983765,0.5333333611488342,0.5882353186607361,0.5333333611488342,1.1215686798095703,0.5555555820465088,0.625,0.5982142686843872,256,16,0.00011260470753032522,0.35464071804416036,concat,5,,
-1,random,1297,325,0.7996300863131935,0.2003699136868064,0.5065535851966075,0.49344641480339246,0.5076923076923077,0.49230769230769234,0.5333333333333333,0.4666666666666667,61,169,disabled poi e3 cell,0.4872961938381195,0.7753846049308777,0.8010899424552917,0.7753846049308777,1.5764745473861694,0.7277227640151978,0.8909090757369995,0.8578599095344543,0.9446551203727722,0.6000000238418579,0.5714285969734192,0.6000000238418579,1.1714286804199219,0.6666666865348816,0.5,0.5,256,16,0.00011260470753032522,0.35464071804416036,concat,5,,
-2,random,1298,324,0.8002466091245376,0.1997533908754624,0.5069337442218799,0.4930662557781202,0.5061728395061729,0.49382716049382713,0.5333333333333333,0.4666666666666667,59,155,,0.6811585426330566,0.8179012537002563,0.8078175783157349,0.8179012537002563,1.6257188320159912,0.867132842540741,0.7560975551605225,0.9093749523162842,2.294311761856079,0.5333333611488342,0.4615384638309479,0.5333333611488342,0.9948718547821045,0.6000000238418579,0.375,0.5714285373687744,768,8,0.00014043847202960548,0.2342271701341171,sum,3,,
-2,random,1298,324,0.8002466091245376,0.1997533908754624,0.5069337442218799,0.4930662557781202,0.5061728395061729,0.49382716049382713,0.5333333333333333,0.4666666666666667,59,155,disabled smiles,0.5465275049209595,0.6944444179534912,0.7211267352104187,0.6944444179534912,1.4155712127685547,0.6701570749282837,0.7804877758026123,0.7835365533828735,0.6441181898117065,0.6666666865348816,0.6666666865348816,0.6666666865348816,1.3333333730697632,0.7142857313156128,0.625,0.7678571939468384,768,8,0.00014043847202960548,0.2342271701341171,sum,3,,
-2,random,1298,324,0.8002466091245376,0.1997533908754624,0.5069337442218799,0.4930662557781202,0.5061728395061729,0.49382716049382713,0.5333333333333333,0.4666666666666667,59,155,disabled poi,0.4448951780796051,0.8148148059844971,0.8159509301185608,0.8148148059844971,1.630765676498413,0.8209876418113708,0.8109756112098694,0.8752286434173584,0.9886000156402588,0.46666666865348816,0.5,0.46666666865348816,0.9666666984558105,0.5,0.5,0.625,768,8,0.00014043847202960548,0.2342271701341171,sum,3,,
-2,random,1298,324,0.8002466091245376,0.1997533908754624,0.5069337442218799,0.4930662557781202,0.5061728395061729,0.49382716049382713,0.5333333333333333,0.4666666666666667,59,155,disabled e3,0.4406956434249878,0.8179012537002563,0.8259587287902832,0.8179012537002563,1.6438599824905396,0.800000011920929,0.8536585569381714,0.8828506469726562,0.8885194659233093,0.5333333611488342,0.5333333611488342,0.5333333611488342,1.0666667222976685,0.5714285969734192,0.5,0.5714285969734192,768,8,0.00014043847202960548,0.2342271701341171,sum,3,,
-2,random,1298,324,0.8002466091245376,0.1997533908754624,0.5069337442218799,0.4930662557781202,0.5061728395061729,0.49382716049382713,0.5333333333333333,0.4666666666666667,59,155,disabled cell,0.4869111180305481,0.7932098507881165,0.8184281587600708,0.7932098507881165,1.611638069152832,0.7365853786468506,0.9207317233085632,0.8755145072937012,0.8917879462242126,0.5333333611488342,0.5882353186607361,0.5333333611488342,1.1215686798095703,0.5555555820465088,0.625,0.5892857313156128,768,8,0.00014043847202960548,0.2342271701341171,sum,3,,
-2,random,1298,324,0.8002466091245376,0.1997533908754624,0.5069337442218799,0.4930662557781202,0.5061728395061729,0.49382716049382713,0.5333333333333333,0.4666666666666667,59,155,disabled poi e3 smiles,0.6586140990257263,0.6358024477958679,0.6775956153869629,0.6358024477958679,1.3133981227874756,0.6138613820075989,0.7560975551605225,0.661413848400116,0.7291111350059509,0.5333333611488342,0.695652186870575,0.5333333611488342,1.2289855480194092,0.5333333611488342,1.0,0.5803571343421936,768,8,0.00014043847202960548,0.2342271701341171,sum,3,,
-2,random,1298,324,0.8002466091245376,0.1997533908754624,0.5069337442218799,0.4930662557781202,0.5061728395061729,0.49382716049382713,0.5333333333333333,0.4666666666666667,59,155,disabled poi e3 cell,0.454527348279953,0.7993826866149902,0.804804801940918,0.7993826866149902,1.6041874885559082,0.7928994297981262,0.8170731663703918,0.8674733638763428,1.0977221727371216,0.5333333611488342,0.5333333611488342,0.5333333611488342,1.0666667222976685,0.5714285969734192,0.5,0.5357142686843872,768,8,0.00014043847202960548,0.2342271701341171,sum,3,,
-3,random,1298,324,0.8002466091245376,0.1997533908754624,0.5069337442218799,0.4930662557781202,0.5061728395061729,0.49382716049382713,0.5333333333333333,0.4666666666666667,62,150,,0.7100628018379211,0.8024691343307495,0.8279569745063782,0.8024691343307495,1.6304261684417725,0.7403846383094788,0.9390243887901306,0.8950457572937012,0.8225985765457153,0.6666666865348816,0.7058823704719543,0.6666666865348816,1.372549057006836,0.6666666865348816,0.75,0.8214285373687744,768,16,0.00013793617886502396,0.21564131291275346,concat,3,,
-3,random,1298,324,0.8002466091245376,0.1997533908754624,0.5069337442218799,0.4930662557781202,0.5061728395061729,0.49382716049382713,0.5333333333333333,0.4666666666666667,62,150,disabled smiles,0.5396817326545715,0.7037037014961243,0.7460317611694336,0.7037037014961243,1.449735403060913,0.65887850522995,0.8597561120986938,0.7995045185089111,0.6630275845527649,0.7333333492279053,0.7142857313156128,0.7333333492279053,1.447619080543518,0.8333333134651184,0.625,0.7857142686843872,768,16,0.00013793617886502396,0.21564131291275346,concat,3,,
-3,random,1298,324,0.8002466091245376,0.1997533908754624,0.5069337442218799,0.4930662557781202,0.5061728395061729,0.49382716049382713,0.5333333333333333,0.4666666666666667,62,150,disabled poi,0.46624496579170227,0.7962962985038757,0.7950310707092285,0.7962962985038757,1.591327428817749,0.8101266026496887,0.7804877758026123,0.8652439713478088,0.7157770991325378,0.6000000238418579,0.625,0.6000000238418579,1.225000023841858,0.625,0.625,0.6785714626312256,768,16,0.00013793617886502396,0.21564131291275346,concat,3,,
-3,random,1298,324,0.8002466091245376,0.1997533908754624,0.5069337442218799,0.4930662557781202,0.5061728395061729,0.49382716049382713,0.5333333333333333,0.4666666666666667,62,150,disabled e3,0.46447545289993286,0.7777777910232544,0.7954545617103577,0.7777777910232544,1.5732324123382568,0.7446808218955994,0.8536585569381714,0.8742758631706238,0.5379350185394287,0.7333333492279053,0.7142857313156128,0.7333333492279053,1.447619080543518,0.8333333134651184,0.625,0.839285671710968,768,16,0.00013793617886502396,0.21564131291275346,concat,3,,
-3,random,1298,324,0.8002466091245376,0.1997533908754624,0.5069337442218799,0.4930662557781202,0.5061728395061729,0.49382716049382713,0.5333333333333333,0.4666666666666667,62,150,disabled cell,0.45558297634124756,0.7839506268501282,0.7891566157341003,0.7839506268501282,1.5731072425842285,0.7797619104385376,0.7987805008888245,0.8745617866516113,0.7021691799163818,0.6666666865348816,0.6153846383094788,0.6666666865348816,1.2820513248443604,0.800000011920929,0.5,0.7142857313156128,768,16,0.00013793617886502396,0.21564131291275346,concat,3,,
-3,random,1298,324,0.8002466091245376,0.1997533908754624,0.5069337442218799,0.4930662557781202,0.5061728395061729,0.49382716049382713,0.5333333333333333,0.4666666666666667,62,150,disabled poi e3 smiles,0.5869922637939453,0.6790123581886292,0.6809815764427185,0.6790123581886292,1.3599939346313477,0.6851851940155029,0.6768292784690857,0.762042760848999,0.6748043298721313,0.46666666865348816,0.5555555820465088,0.46666666865348816,1.0222222805023193,0.5,0.625,0.6339285373687744,768,16,0.00013793617886502396,0.21564131291275346,concat,3,,
-3,random,1298,324,0.8002466091245376,0.1997533908754624,0.5069337442218799,0.4930662557781202,0.5061728395061729,0.49382716049382713,0.5333333333333333,0.4666666666666667,62,150,disabled poi e3 cell,0.4739360213279724,0.7993826866149902,0.8082596063613892,0.7993826866149902,1.6076422929763794,0.7828571200370789,0.8353658318519592,0.8600800037384033,0.8164775967597961,0.46666666865348816,0.5,0.46666666865348816,0.9666666984558105,0.5,0.5,0.6071428060531616,768,16,0.00013793617886502396,0.21564131291275346,concat,3,,
-4,random,1298,324,0.8002466091245376,0.1997533908754624,0.5069337442218799,0.4930662557781202,0.5061728395061729,0.49382716049382713,0.5333333333333333,0.4666666666666667,56,149,,0.7737308740615845,0.6604938507080078,0.5564516186714172,0.6604938507080078,1.2169454097747803,0.8214285969734192,0.42073169350624084,0.8271722793579102,1.2307369709014893,0.6000000238418579,0.5,0.6000000238418579,1.100000023841858,0.75,0.375,0.6607142686843872,256,16,0.00044286856429857213,0.6776131222693728,sum,12,,
-4,random,1298,324,0.8002466091245376,0.1997533908754624,0.5069337442218799,0.4930662557781202,0.5061728395061729,0.49382716049382713,0.5333333333333333,0.4666666666666667,56,149,disabled smiles,0.5881996750831604,0.6851851940155029,0.7197802066802979,0.6851851940155029,1.4049654006958008,0.6549999713897705,0.7987805008888245,0.7401105165481567,0.6815891265869141,0.6666666865348816,0.6666666865348816,0.6666666865348816,1.3333333730697632,0.7142857313156128,0.625,0.7678571343421936,256,16,0.00044286856429857213,0.6776131222693728,sum,12,,
-4,random,1298,324,0.8002466091245376,0.1997533908754624,0.5069337442218799,0.4930662557781202,0.5061728395061729,0.49382716049382713,0.5333333333333333,0.4666666666666667,56,149,disabled poi,0.5432699918746948,0.7530864477157593,0.74842768907547,0.7530864477157593,1.501514196395874,0.7727272510528564,0.7256097793579102,0.8218178153038025,0.8046753406524658,0.6000000238418579,0.625,0.6000000238418579,1.225000023841858,0.625,0.625,0.6607142686843872,256,16,0.00044286856429857213,0.6776131222693728,sum,12,,
-4,random,1298,324,0.8002466091245376,0.1997533908754624,0.5069337442218799,0.4930662557781202,0.5061728395061729,0.49382716049382713,0.5333333333333333,0.4666666666666667,56,149,disabled e3,0.5469839572906494,0.7345678806304932,0.7278481125831604,0.7345678806304932,1.4624159336090088,0.7565789222717285,0.7012194991111755,0.8274009227752686,0.8239162564277649,0.6000000238418579,0.5714285969734192,0.6000000238418579,1.1714286804199219,0.6666666865348816,0.5,0.625,256,16,0.00044286856429857213,0.6776131222693728,sum,12,,
-4,random,1298,324,0.8002466091245376,0.1997533908754624,0.5069337442218799,0.4930662557781202,0.5061728395061729,0.49382716049382713,0.5333333333333333,0.4666666666666667,56,149,disabled cell,0.5858917236328125,0.7407407164573669,0.7754010558128357,0.7407407164573669,1.5161417722702026,0.6904761791229248,0.8841463327407837,0.8296874761581421,0.8328282833099365,0.46666666865348816,0.6000000238418579,0.46666666865348816,1.0666667222976685,0.5,0.75,0.6964285373687744,256,16,0.00044286856429857213,0.6776131222693728,sum,12,,
-4,random,1298,324,0.8002466091245376,0.1997533908754624,0.5069337442218799,0.4930662557781202,0.5061728395061729,0.49382716049382713,0.5333333333333333,0.4666666666666667,56,149,disabled poi e3 smiles,0.649834930896759,0.6296296119689941,0.5862069129943848,0.6296296119689941,1.215836524963379,0.6746031641960144,0.5182926654815674,0.6870617866516113,0.6609086990356445,0.6000000238418579,0.625,0.6000000238418579,1.225000023841858,0.625,0.625,0.6517857313156128,256,16,0.00044286856429857213,0.6776131222693728,sum,12,,
-4,random,1298,324,0.8002466091245376,0.1997533908754624,0.5069337442218799,0.4930662557781202,0.5061728395061729,0.49382716049382713,0.5333333333333333,0.4666666666666667,56,149,disabled poi e3 cell,0.5440764427185059,0.7561728358268738,0.742671012878418,0.7561728358268738,1.4988439083099365,0.7972028255462646,0.6951219439506531,0.8200076222419739,0.897355318069458,0.46666666865348816,0.5,0.46666666865348816,0.9666666984558105,0.5,0.5,0.6071428060531616,256,16,0.00044286856429857213,0.6776131222693728,sum,12,,
-0,uniprot,1037,585,0.6393341553637485,0.36066584463625156,0.5255544840887174,0.47444551591128253,0.4735042735042735,0.5264957264957265,0.5333333333333333,0.4666666666666667,0,104,,0.6824721693992615,0.5230769515037537,0.4804469347000122,0.5230769515037537,1.003523826599121,0.4961538314819336,0.46570396423339844,0.5662302374839783,0.7093271017074585,0.5333333611488342,0.5333333611488342,0.5333333611488342,1.0666667222976685,0.5714285969734192,0.5,0.482142835855484,256,32,2.370260698512687e-05,0.4115388447399388,concat,3,66.0,21.0
-0,uniprot,1037,585,0.6393341553637485,0.36066584463625156,0.5255544840887174,0.47444551591128253,0.4735042735042735,0.5264957264957265,0.5333333333333333,0.4666666666666667,0,104,disabled smiles,0.7585179209709167,0.6222222447395325,0.6102292537689209,0.6222222447395325,1.2324514389038086,0.5965517163276672,0.6245487332344055,0.6541680693626404,0.6437936425209045,0.7333333492279053,0.75,0.7333333492279053,1.4833333492279053,0.75,0.75,0.7142857313156128,256,32,2.370260698512687e-05,0.4115388447399388,concat,3,66.0,21.0
-0,uniprot,1037,585,0.6393341553637485,0.36066584463625156,0.5255544840887174,0.47444551591128253,0.4735042735042735,0.5264957264957265,0.5333333333333333,0.4666666666666667,0,104,disabled poi,0.8561940789222717,0.5675213932991028,0.5048923492431641,0.5675213932991028,1.072413682937622,0.5512820482254028,0.46570396423339844,0.6264358758926392,0.8144600987434387,0.6666666865348816,0.6153846383094788,0.6666666865348816,1.2820513248443604,0.800000011920929,0.5,0.6607142686843872,256,32,2.370260698512687e-05,0.4115388447399388,concat,3,66.0,21.0
-0,uniprot,1037,585,0.6393341553637485,0.36066584463625156,0.5255544840887174,0.47444551591128253,0.4735042735042735,0.5264957264957265,0.5333333333333333,0.4666666666666667,0,104,disabled e3,0.9153916239738464,0.5914530158042908,0.5377175807952881,0.5914530158042908,1.1291706562042236,0.5791666507720947,0.5018050670623779,0.6198426485061646,0.9018877744674683,0.6666666865348816,0.6153846383094788,0.6666666865348816,1.2820513248443604,0.800000011920929,0.5,0.625,256,32,2.370260698512687e-05,0.4115388447399388,concat,3,66.0,21.0
-0,uniprot,1037,585,0.6393341553637485,0.36066584463625156,0.5255544840887174,0.47444551591128253,0.4735042735042735,0.5264957264957265,0.5333333333333333,0.4666666666666667,0,104,disabled cell,0.9682061076164246,0.5589743852615356,0.5852090120315552,0.5589743852615356,1.1441833972930908,0.5275362133979797,0.6570397019386292,0.614996075630188,0.6076319217681885,0.7333333492279053,0.75,0.7333333492279053,1.4833333492279053,0.75,0.75,0.7857142686843872,256,32,2.370260698512687e-05,0.4115388447399388,concat,3,66.0,21.0
-0,uniprot,1037,585,0.6393341553637485,0.36066584463625156,0.5255544840887174,0.47444551591128253,0.4735042735042735,0.5264957264957265,0.5333333333333333,0.4666666666666667,0,104,disabled poi e3 smiles,0.7362291812896729,0.5675213932991028,0.5143954157829285,0.5675213932991028,1.0819168090820312,0.5491803288459778,0.4837545156478882,0.5613073706626892,0.7299211025238037,0.5333333611488342,0.6315789222717285,0.5333333611488342,1.164912223815918,0.5454545617103577,0.75,0.5089285373687744,256,32,2.370260698512687e-05,0.4115388447399388,concat,3,66.0,21.0
-0,uniprot,1037,585,0.6393341553637485,0.36066584463625156,0.5255544840887174,0.47444551591128253,0.4735042735042735,0.5264957264957265,0.5333333333333333,0.4666666666666667,0,104,disabled poi e3 cell,0.8672426342964172,0.5777778029441833,0.5848739743232727,0.5777778029441833,1.162651777267456,0.5471698045730591,0.6281588673591614,0.6167483329772949,0.6824213862419128,0.7333333492279053,0.75,0.7333333492279053,1.4833333492279053,0.75,0.75,0.7142857313156128,256,32,2.370260698512687e-05,0.4115388447399388,concat,3,66.0,21.0
-1,uniprot,1259,363,0.7762022194821209,0.22379778051787916,0.5250198570293884,0.4749801429706116,0.44352617079889806,0.5564738292011019,0.5333333333333333,0.4666666666666667,0,17,,0.6956441402435303,0.5426997542381287,0.5117647051811218,0.5426997542381287,1.0544644594192505,0.48603352904319763,0.5403726696968079,0.5511960983276367,0.6919254660606384,0.46666666865348816,0.6000000238418579,0.46666666865348816,1.0666667222976685,0.5,0.75,0.6071428656578064,256,32,3.3851835737025745e-05,0.7793063588277784,concat,7,73.0,14.0
-1,uniprot,1259,363,0.7762022194821209,0.22379778051787916,0.5250198570293884,0.4749801429706116,0.44352617079889806,0.5564738292011019,0.5333333333333333,0.4666666666666667,0,17,disabled smiles,0.6471428275108337,0.7162534594535828,0.7392405271530151,0.7162534594535828,1.4554939270019531,0.6239316463470459,0.9068322777748108,0.7234641313552856,0.6933107972145081,0.7333333492279053,0.6666666865348816,0.7333333492279053,1.4000000953674316,1.0,0.5,0.6964285969734192,256,32,3.3851835737025745e-05,0.7793063588277784,concat,7,73.0,14.0
-1,uniprot,1259,363,0.7762022194821209,0.22379778051787916,0.5250198570293884,0.4749801429706116,0.44352617079889806,0.5564738292011019,0.5333333333333333,0.4666666666666667,0,17,disabled poi,1.0827058553695679,0.5206611752510071,0.5347593426704407,0.5206611752510071,1.0554205179214478,0.46948355436325073,0.6211180090904236,0.5061804056167603,0.8700677156448364,0.6666666865348816,0.6153846383094788,0.6666666865348816,1.2820513248443604,0.800000011920929,0.5,0.5892857313156128,256,32,3.3851835737025745e-05,0.7793063588277784,concat,7,73.0,14.0
-1,uniprot,1259,363,0.7762022194821209,0.22379778051787916,0.5250198570293884,0.4749801429706116,0.44352617079889806,0.5564738292011019,0.5333333333333333,0.4666666666666667,0,17,disabled e3,0.8694989085197449,0.6115702390670776,0.591304361820221,0.6115702390670776,1.2028746604919434,0.554347813129425,0.6335403919219971,0.636338472366333,0.9702901244163513,0.6000000238418579,0.5,0.6000000238418579,1.100000023841858,0.75,0.375,0.5714285969734192,256,32,3.3851835737025745e-05,0.7793063588277784,concat,7,73.0,14.0
-1,uniprot,1259,363,0.7762022194821209,0.22379778051787916,0.5250198570293884,0.4749801429706116,0.44352617079889806,0.5564738292011019,0.5333333333333333,0.4666666666666667,0,17,disabled cell,0.9711199402809143,0.6088154315948486,0.605555534362793,0.6088154315948486,1.2143709659576416,0.5477386713027954,0.6770186424255371,0.6090031266212463,0.7688064575195312,0.7333333492279053,0.7142857313156128,0.7333333492279053,1.447619080543518,0.8333333134651184,0.625,0.6428571939468384,256,32,3.3851835737025745e-05,0.7793063588277784,concat,7,73.0,14.0
-1,uniprot,1259,363,0.7762022194821209,0.22379778051787916,0.5250198570293884,0.4749801429706116,0.44352617079889806,0.5564738292011019,0.5333333333333333,0.4666666666666667,0,17,disabled poi e3 smiles,0.7524796724319458,0.6666666865348816,0.7070217728614807,0.6666666865348816,1.3736884593963623,0.579365074634552,0.9068322777748108,0.7283070087432861,0.6670061349868774,0.5333333611488342,0.5882353186607361,0.5333333611488342,1.1215686798095703,0.5555555820465088,0.625,0.5892857313156128,256,32,3.3851835737025745e-05,0.7793063588277784,concat,7,73.0,14.0
-1,uniprot,1259,363,0.7762022194821209,0.22379778051787916,0.5250198570293884,0.4749801429706116,0.44352617079889806,0.5564738292011019,0.5333333333333333,0.4666666666666667,0,17,disabled poi e3 cell,1.0443087816238403,0.5261707901954651,0.40689656138420105,0.5261707901954651,0.9330673217773438,0.45736435055732727,0.3664596378803253,0.47446346282958984,1.157920002937317,0.5333333611488342,0.4615384638309479,0.5333333611488342,0.9948718547821045,0.6000000238418579,0.375,0.4642857313156128,256,32,3.3851835737025745e-05,0.7793063588277784,concat,7,73.0,14.0
-2,uniprot,1471,151,0.906905055487053,0.09309494451294698,0.4983004758667573,0.5016995241332427,0.5894039735099338,0.4105960264900662,0.5333333333333333,0.4666666666666667,0,4,,0.7017173767089844,0.6688741445541382,0.7126436829566956,0.6688741445541382,1.3815178871154785,0.729411780834198,0.6966292262077332,0.7033345103263855,0.7635921239852905,0.6666666865348816,0.6666666865348816,0.6666666865348816,1.3333333730697632,0.7142857313156128,0.625,0.6964285969734192,256,8,0.0001322628127476588,0.7553049720956354,sum,15,74.0,13.0
-2,uniprot,1471,151,0.906905055487053,0.09309494451294698,0.4983004758667573,0.5016995241332427,0.5894039735099338,0.4105960264900662,0.5333333333333333,0.4666666666666667,0,4,disabled smiles,0.672980010509491,0.5894039869308472,0.6666666865348816,0.5894039869308472,1.256070613861084,0.6391752362251282,0.6966292262077332,0.6354657411575317,0.6287158131599426,0.6666666865348816,0.6666666865348816,0.6666666865348816,1.3333333730697632,0.7142857313156128,0.625,0.75,256,8,0.0001322628127476588,0.7553049720956354,sum,15,74.0,13.0
-2,uniprot,1471,151,0.906905055487053,0.09309494451294698,0.4983004758667573,0.5016995241332427,0.5894039735099338,0.4105960264900662,0.5333333333333333,0.4666666666666667,0,4,disabled poi,0.8046675324440002,0.6423841118812561,0.6860465407371521,0.6423841118812561,1.3284306526184082,0.7108433842658997,0.6629213690757751,0.6649148464202881,0.9394022822380066,0.6666666865348816,0.7058823704719543,0.6666666865348816,1.372549057006836,0.6666666865348816,0.75,0.625,256,8,0.0001322628127476588,0.7553049720956354,sum,15,74.0,13.0
-2,uniprot,1471,151,0.906905055487053,0.09309494451294698,0.4983004758667573,0.5016995241332427,0.5894039735099338,0.4105960264900662,0.5333333333333333,0.4666666666666667,0,4,disabled e3,0.8483209609985352,0.6225165724754333,0.6627218723297119,0.6225165724754333,1.28523850440979,0.699999988079071,0.6292135119438171,0.6678144335746765,0.8783318996429443,0.5333333611488342,0.4615384638309479,0.5333333611488342,0.9948718547821045,0.6000000238418579,0.375,0.6785714626312256,256,8,0.0001322628127476588,0.7553049720956354,sum,15,74.0,13.0
-2,uniprot,1471,151,0.906905055487053,0.09309494451294698,0.4983004758667573,0.5016995241332427,0.5894039735099338,0.4105960264900662,0.5333333333333333,0.4666666666666667,0,4,disabled cell,0.8779577016830444,0.6158940196037292,0.6419752836227417,0.6158940196037292,1.2578692436218262,0.7123287916183472,0.584269642829895,0.6447082757949829,0.7685146331787109,0.6666666865348816,0.6153846383094788,0.6666666865348816,1.2820513248443604,0.800000011920929,0.5,0.6964285373687744,256,8,0.0001322628127476588,0.7553049720956354,sum,15,74.0,13.0
-2,uniprot,1471,151,0.906905055487053,0.09309494451294698,0.4983004758667573,0.5016995241332427,0.5894039735099338,0.4105960264900662,0.5333333333333333,0.4666666666666667,0,4,disabled poi e3 smiles,0.7894202470779419,0.5761589407920837,0.604938268661499,0.5761589407920837,1.1810972690582275,0.6712328791618347,0.550561785697937,0.5758427381515503,0.6334865093231201,0.5333333611488342,0.5882353186607361,0.5333333611488342,1.1215686798095703,0.5555555820465088,0.625,0.7232142686843872,256,8,0.0001322628127476588,0.7553049720956354,sum,15,74.0,13.0
-2,uniprot,1471,151,0.906905055487053,0.09309494451294698,0.4983004758667573,0.5016995241332427,0.5894039735099338,0.4105960264900662,0.5333333333333333,0.4666666666666667,0,4,disabled poi e3 cell,0.8032029271125793,0.6357616186141968,0.6961326003074646,0.6357616186141968,1.3318941593170166,0.6847826242446899,0.7078651785850525,0.6527727842330933,1.1245901584625244,0.5333333611488342,0.6315789222717285,0.5333333611488342,1.164912223815918,0.5454545617103577,0.75,0.625,256,8,0.0001322628127476588,0.7553049720956354,sum,15,74.0,13.0
-3,uniprot,1304,318,0.8039457459926017,0.1960542540073983,0.5015337423312883,0.49846625766871167,0.5283018867924528,0.4716981132075472,0.5333333333333333,0.4666666666666667,0,68,,0.7997830510139465,0.5911949872970581,0.5779221057891846,0.5911949872970581,1.1691170930862427,0.6357142925262451,0.5297619104385376,0.6329365372657776,0.8700001835823059,0.5333333611488342,0.4615384638309479,0.5333333611488342,0.9948718547821045,0.6000000238418579,0.375,0.4821428656578064,768,8,1.4023622034983061e-05,0.17364599828723307,sum,13,66.0,21.0
-3,uniprot,1304,318,0.8039457459926017,0.1960542540073983,0.5015337423312883,0.49846625766871167,0.5283018867924528,0.4716981132075472,0.5333333333333333,0.4666666666666667,0,68,disabled smiles,0.8978493213653564,0.553459107875824,0.5722891688346863,0.553459107875824,1.1257482767105103,0.5792682766914368,0.5654761791229248,0.6120436191558838,0.7318023443222046,0.7333333492279053,0.6666666865348816,0.7333333492279053,1.4000000953674316,1.0,0.5,0.7678571343421936,768,8,1.4023622034983061e-05,0.17364599828723307,sum,13,66.0,21.0
-3,uniprot,1304,318,0.8039457459926017,0.1960542540073983,0.5015337423312883,0.49846625766871167,0.5283018867924528,0.4716981132075472,0.5333333333333333,0.4666666666666667,0,68,disabled poi,0.7776672840118408,0.6226415038108826,0.6551724076271057,0.6226415038108826,1.2778139114379883,0.6333333253860474,0.6785714030265808,0.6633729934692383,0.7581737637519836,0.6000000238418579,0.5714285969734192,0.6000000238418579,1.1714286804199219,0.6666666865348816,0.5,0.6428571343421936,768,8,1.4023622034983061e-05,0.17364599828723307,sum,13,66.0,21.0
-3,uniprot,1304,318,0.8039457459926017,0.1960542540073983,0.5015337423312883,0.49846625766871167,0.5283018867924528,0.4716981132075472,0.5333333333333333,0.4666666666666667,0,68,disabled e3,1.0303740501403809,0.553459107875824,0.4701492488384247,0.553459107875824,1.0236083269119263,0.6299999952316284,0.375,0.655238151550293,1.0681126117706299,0.6666666865348816,0.5454545617103577,0.6666666865348816,1.2121212482452393,1.0,0.375,0.5714285373687744,768,8,1.4023622034983061e-05,0.17364599828723307,sum,13,66.0,21.0
-3,uniprot,1304,318,0.8039457459926017,0.1960542540073983,0.5015337423312883,0.49846625766871167,0.5283018867924528,0.4716981132075472,0.5333333333333333,0.4666666666666667,0,68,disabled cell,0.8984252214431763,0.5880503058433533,0.6018236875534058,0.5880503058433533,1.1898739337921143,0.6149068474769592,0.5892857313156128,0.6221230030059814,0.7494574189186096,0.5333333611488342,0.5333333611488342,0.5333333611488342,1.0666667222976685,0.5714285969734192,0.5,0.5714285373687744,768,8,1.4023622034983061e-05,0.17364599828723307,sum,13,66.0,21.0
-3,uniprot,1304,318,0.8039457459926017,0.1960542540073983,0.5015337423312883,0.49846625766871167,0.5283018867924528,0.4716981132075472,0.5333333333333333,0.4666666666666667,0,68,disabled poi e3 smiles,0.6537907719612122,0.6163522005081177,0.6163522005081177,0.6163522005081177,1.2327044010162354,0.653333306312561,0.5833333134651184,0.6537896394729614,0.6933600306510925,0.5333333611488342,0.5882353186607361,0.5333333611488342,1.1215686798095703,0.5555555820465088,0.625,0.5982142686843872,768,8,1.4023622034983061e-05,0.17364599828723307,sum,13,66.0,21.0
-3,uniprot,1304,318,0.8039457459926017,0.1960542540073983,0.5015337423312883,0.49846625766871167,0.5283018867924528,0.4716981132075472,0.5333333333333333,0.4666666666666667,0,68,disabled poi e3 cell,0.789810061454773,0.5849056839942932,0.6024096608161926,0.5849056839942932,1.1873153448104858,0.6097561120986938,0.5952380895614624,0.6414086818695068,0.7943658232688904,0.5333333611488342,0.5333333611488342,0.5333333611488342,1.0666667222976685,0.5714285969734192,0.5,0.5714285373687744,768,8,1.4023622034983061e-05,0.17364599828723307,sum,13,66.0,21.0
-4,uniprot,1417,205,0.8736128236744759,0.12638717632552404,0.49047282992237123,0.5095271700776288,0.6195121951219512,0.3804878048780488,0.5333333333333333,0.4666666666666667,0,59,,0.6188333630561829,0.6731707453727722,0.7330677509307861,0.6731707453727722,1.4062385559082031,0.7419354915618896,0.7244094610214233,0.7168383002281189,0.7959364056587219,0.5333333611488342,0.5333333611488342,0.5333333611488342,1.0666667222976685,0.5714285969734192,0.5,0.4464285373687744,768,32,1.904127393430868e-05,0.16747262226090098,sum,11,69.0,18.0
-4,uniprot,1417,205,0.8736128236744759,0.12638717632552404,0.49047282992237123,0.5095271700776288,0.6195121951219512,0.3804878048780488,0.5333333333333333,0.4666666666666667,0,59,disabled smiles,0.8983283042907715,0.5463414788246155,0.607594907283783,0.5463414788246155,1.1539363861083984,0.6545454263687134,0.5669291615486145,0.5143852233886719,0.656104326248169,0.6666666865348816,0.6153846383094788,0.6666666865348816,1.2820513248443604,0.800000011920929,0.5,0.785714328289032,768,32,1.904127393430868e-05,0.16747262226090098,sum,11,69.0,18.0
-4,uniprot,1417,205,0.8736128236744759,0.12638717632552404,0.49047282992237123,0.5095271700776288,0.6195121951219512,0.3804878048780488,0.5333333333333333,0.4666666666666667,0,59,disabled poi,0.7992793321609497,0.6536585092544556,0.7148594260215759,0.6536585092544556,1.3685178756713867,0.7295082211494446,0.7007874250411987,0.6965475082397461,0.9470214247703552,0.5333333611488342,0.5882353186607361,0.5333333611488342,1.1215686798095703,0.5555555820465088,0.625,0.5892857313156128,768,32,1.904127393430868e-05,0.16747262226090098,sum,11,69.0,18.0
-4,uniprot,1417,205,0.8736128236744759,0.12638717632552404,0.49047282992237123,0.5095271700776288,0.6195121951219512,0.3804878048780488,0.5333333333333333,0.4666666666666667,0,59,disabled e3,0.7767815589904785,0.6487804651260376,0.7251908183097839,0.6487804651260376,1.3739712238311768,0.7037037014961243,0.748031497001648,0.6765596866607666,0.8279237151145935,0.6666666865348816,0.7058823704719543,0.6666666865348816,1.372549057006836,0.6666666865348816,0.75,0.5714285373687744,768,32,1.904127393430868e-05,0.16747262226090098,sum,11,69.0,18.0
-4,uniprot,1417,205,0.8736128236744759,0.12638717632552404,0.49047282992237123,0.5095271700776288,0.6195121951219512,0.3804878048780488,0.5333333333333333,0.4666666666666667,0,59,disabled cell,0.7587205171585083,0.6439024209976196,0.7091633677482605,0.6439024209976196,1.3530657291412354,0.7177419066429138,0.7007874250411987,0.6879668831825256,0.8085011839866638,0.6666666865348816,0.6666666865348816,0.6666666865348816,1.3333333730697632,0.7142857313156128,0.625,0.6071428656578064,768,32,1.904127393430868e-05,0.16747262226090098,sum,11,69.0,18.0
-4,uniprot,1417,205,0.8736128236744759,0.12638717632552404,0.49047282992237123,0.5095271700776288,0.6195121951219512,0.3804878048780488,0.5333333333333333,0.4666666666666667,0,59,disabled poi e3 smiles,0.8121052980422974,0.44878047704696655,0.47441861033439636,0.44878047704696655,0.9231990575790405,0.5795454382896423,0.4015747904777527,0.41686856746673584,0.6727401614189148,0.5333333611488342,0.5333333611488342,0.5333333611488342,1.0666667222976685,0.5714285969734192,0.5,0.6160714626312256,768,32,1.904127393430868e-05,0.16747262226090098,sum,11,69.0,18.0
-4,uniprot,1417,205,0.8736128236744759,0.12638717632552404,0.49047282992237123,0.5095271700776288,0.6195121951219512,0.3804878048780488,0.5333333333333333,0.4666666666666667,0,59,disabled poi e3 cell,0.674014151096344,0.6926829218864441,0.7224669456481934,0.6926829218864441,1.4151499271392822,0.8199999928474426,0.6456692814826965,0.7463658452033997,1.0044059753417969,0.5333333611488342,0.5882353186607361,0.5333333611488342,1.1215686798095703,0.5555555820465088,0.625,0.5178571343421936,768,32,1.904127393430868e-05,0.16747262226090098,sum,11,69.0,18.0
-0,tanimoto,1302,320,0.8027127003699137,0.19728729963008632,0.5153609831029186,0.4846390168970814,0.471875,0.528125,0.5333333333333333,0.4666666666666667,48,0,,0.5541057586669922,0.7093750238418579,0.6759582161903381,0.7093750238418579,1.3853332996368408,0.7132353186607361,0.6423841118812561,0.8009326457977295,0.8156429529190063,0.5333333611488342,0.3636363744735718,0.5333333611488342,0.896969735622406,0.6666666865348816,0.25,0.5714285373687744,512,16,2.7781682968120603e-05,0.2539329989843607,sum,11,90.0,23.0
-0,tanimoto,1302,320,0.8027127003699137,0.19728729963008632,0.5153609831029186,0.4846390168970814,0.471875,0.528125,0.5333333333333333,0.4666666666666667,48,0,disabled smiles,0.5770112872123718,0.6781250238418579,0.6281588673591614,0.6781250238418579,1.306283950805664,0.6904761791229248,0.5761589407920837,0.7609623670578003,0.8381537795066833,0.6666666865348816,0.5454545617103577,0.6666666865348816,1.2121212482452393,1.0,0.375,0.6964285969734192,512,16,2.7781682968120603e-05,0.2539329989843607,sum,11,90.0,23.0
-0,tanimoto,1302,320,0.8027127003699137,0.19728729963008632,0.5153609831029186,0.4846390168970814,0.471875,0.528125,0.5333333333333333,0.4666666666666667,48,0,disabled poi,0.6204286217689514,0.7406250238418579,0.6844106316566467,0.7406250238418579,1.4250357151031494,0.8035714030265808,0.5960264801979065,0.8211137056350708,1.0280094146728516,0.46666666865348816,0.3333333432674408,0.46666666865348816,0.800000011920929,0.5,0.25,0.6071428656578064,512,16,2.7781682968120603e-05,0.2539329989843607,sum,11,90.0,23.0
-0,tanimoto,1302,320,0.8027127003699137,0.19728729963008632,0.5153609831029186,0.4846390168970814,0.471875,0.528125,0.5333333333333333,0.4666666666666667,48,0,disabled e3,0.5594940781593323,0.7437499761581421,0.75,0.7437499761581421,1.493749976158142,0.694915235042572,0.8145695328712463,0.8246405124664307,0.6136658191680908,0.6666666865348816,0.6666666865348816,0.6666666865348816,1.3333333730697632,0.7142857313156128,0.625,0.714285671710968,512,16,2.7781682968120603e-05,0.2539329989843607,sum,11,90.0,23.0
-0,tanimoto,1302,320,0.8027127003699137,0.19728729963008632,0.5153609831029186,0.4846390168970814,0.471875,0.528125,0.5333333333333333,0.4666666666666667,48,0,disabled cell,0.5981546640396118,0.768750011920929,0.7643312215805054,0.768750011920929,1.533081293106079,0.7361963391304016,0.7947019934654236,0.8042047023773193,0.7782644629478455,0.5333333611488342,0.5333333611488342,0.5333333611488342,1.0666667222976685,0.5714285969734192,0.5,0.625,512,16,2.7781682968120603e-05,0.2539329989843607,sum,11,90.0,23.0
-0,tanimoto,1302,320,0.8027127003699137,0.19728729963008632,0.5153609831029186,0.4846390168970814,0.471875,0.528125,0.5333333333333333,0.4666666666666667,48,0,disabled poi e3 smiles,0.6006653904914856,0.6781250238418579,0.6750788688659668,0.6781250238418579,1.3532038927078247,0.6445783376693726,0.7086092829704285,0.7411536574363708,0.7000010013580322,0.46666666865348816,0.5555555820465088,0.46666666865348816,1.0222222805023193,0.5,0.625,0.5446428656578064,512,16,2.7781682968120603e-05,0.2539329989843607,sum,11,90.0,23.0
-0,tanimoto,1302,320,0.8027127003699137,0.19728729963008632,0.5153609831029186,0.4846390168970814,0.471875,0.528125,0.5333333333333333,0.4666666666666667,48,0,disabled poi e3 cell,0.595572292804718,0.7437499761581421,0.7152777910232544,0.7437499761581421,1.4590277671813965,0.7518247961997986,0.6821191906929016,0.8018535375595093,1.0155388116836548,0.5333333611488342,0.5333333611488342,0.5333333611488342,1.0666667222976685,0.5714285969734192,0.5,0.4999999701976776,512,16,2.7781682968120603e-05,0.2539329989843607,sum,11,90.0,23.0
-1,tanimoto,1354,268,0.8347718865598027,0.16522811344019728,0.5096011816838996,0.49039881831610044,0.4925373134328358,0.5074626865671642,0.5333333333333333,0.4666666666666667,55,0,,0.5841307044029236,0.746268630027771,0.7384615540504456,0.746268630027771,1.4847302436828613,0.75,0.7272727489471436,0.8060939908027649,0.9095832109451294,0.5333333611488342,0.5333333611488342,0.5333333611488342,1.0666667222976685,0.5714285969734192,0.5,0.5714285373687744,512,16,4.060842196508488e-05,0.14714982512895747,concat,12,93.0,20.0
-1,tanimoto,1354,268,0.8347718865598027,0.16522811344019728,0.5096011816838996,0.49039881831610044,0.4925373134328358,0.5074626865671642,0.5333333333333333,0.4666666666666667,55,0,disabled smiles,0.5308560132980347,0.7276119589805603,0.7224334478378296,0.7276119589805603,1.4500453472137451,0.7251908183097839,0.7196969985961914,0.8039773106575012,0.6361650824546814,0.7333333492279053,0.7142857313156128,0.7333333492279053,1.447619080543518,0.8333333134651184,0.625,0.8214285373687744,512,16,4.060842196508488e-05,0.14714982512895747,concat,12,93.0,20.0
-1,tanimoto,1354,268,0.8347718865598027,0.16522811344019728,0.5096011816838996,0.49039881831610044,0.4925373134328358,0.5074626865671642,0.5333333333333333,0.4666666666666667,55,0,disabled poi,0.5849429368972778,0.7276119589805603,0.7402135133743286,0.7276119589805603,1.4678254127502441,0.6979866027832031,0.7878788113594055,0.7972927689552307,0.8147440552711487,0.5333333611488342,0.5882353186607361,0.5333333611488342,1.1215686798095703,0.5555555820465088,0.625,0.5892857313156128,512,16,4.060842196508488e-05,0.14714982512895747,concat,12,93.0,20.0
-1,tanimoto,1354,268,0.8347718865598027,0.16522811344019728,0.5096011816838996,0.49039881831610044,0.4925373134328358,0.5074626865671642,0.5333333333333333,0.4666666666666667,55,0,disabled e3,0.6248289942741394,0.7126865386962891,0.6831275820732117,0.7126865386962891,1.3958141803741455,0.7477477192878723,0.6287878751754761,0.7948417663574219,0.9598411917686462,0.6000000238418579,0.5714285969734192,0.6000000238418579,1.1714286804199219,0.6666666865348816,0.5,0.6071428060531616,512,16,4.060842196508488e-05,0.14714982512895747,concat,12,93.0,20.0
-1,tanimoto,1354,268,0.8347718865598027,0.16522811344019728,0.5096011816838996,0.49039881831610044,0.4925373134328358,0.5074626865671642,0.5333333333333333,0.4666666666666667,55,0,disabled cell,0.5872834920883179,0.7126865386962891,0.7298245429992676,0.7126865386962891,1.4425110816955566,0.6797385811805725,0.7878788113594055,0.7965964674949646,0.678235650062561,0.6666666865348816,0.6666666865348816,0.6666666865348816,1.3333333730697632,0.7142857313156128,0.625,0.6428571343421936,512,16,4.060842196508488e-05,0.14714982512895747,concat,12,93.0,20.0
-1,tanimoto,1354,268,0.8347718865598027,0.16522811344019728,0.5096011816838996,0.49039881831610044,0.4925373134328358,0.5074626865671642,0.5333333333333333,0.4666666666666667,55,0,disabled poi e3 smiles,0.6118500828742981,0.6753731369972229,0.6533864736557007,0.6753731369972229,1.3287596702575684,0.6890756487846375,0.6212121248245239,0.7398897409439087,0.6753880381584167,0.46666666865348816,0.5555555820465088,0.46666666865348816,1.0222222805023193,0.5,0.625,0.6517857313156128,512,16,4.060842196508488e-05,0.14714982512895747,concat,12,93.0,20.0
-1,tanimoto,1354,268,0.8347718865598027,0.16522811344019728,0.5096011816838996,0.49039881831610044,0.4925373134328358,0.5074626865671642,0.5333333333333333,0.4666666666666667,55,0,disabled poi e3 cell,0.5903911590576172,0.6828358173370361,0.6530612111091614,0.6828358173370361,1.3358969688415527,0.7079645991325378,0.6060606241226196,0.7769886255264282,0.836719274520874,0.6000000238418579,0.625,0.6000000238418579,1.225000023841858,0.625,0.625,0.6071428656578064,512,16,4.060842196508488e-05,0.14714982512895747,concat,12,93.0,20.0
-2,tanimoto,1309,313,0.8070283600493219,0.19297163995067818,0.5049656226126814,0.4950343773873186,0.5143769968051118,0.48562300319488816,0.5333333333333333,0.4666666666666667,51,0,,0.6360348463058472,0.6677316427230835,0.6388888955116272,0.6677316427230835,1.3066205978393555,0.7244094610214233,0.5714285969734192,0.7316116094589233,0.7932903170585632,0.6666666865348816,0.5454545617103577,0.6666666865348816,1.2121212482452393,1.0,0.375,0.5535714030265808,768,16,1.2193282352387358e-05,0.15853123377498063,concat,6,90.0,23.0
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src/run_experiments.py

@@ -8,6 +8,7 @@ sys.path.append(os.path.abspath(os.path.join(os.path.dirname(__file__), '..')))
 
 import protac_degradation_predictor as pdp
 
+import pytorch_lightning as pl
 from rdkit import Chem
 from rdkit.Chem import AllChem
 from rdkit import DataStructs
@@ -222,6 +223,8 @@ def main(
         n_splits (int): The number of cross-validation splits.
         fast_dev_run (bool): Whether to run a fast development run.
     """
+    pl.seed_everything(42)
+
     # Set the Column to Predict
     active_name = active_col.replace(' ', '_').replace('(', '').replace(')', '').replace(',', '')
 
@@ -255,7 +258,7 @@ def main(
     cell2embedding = pdp.load_cell2embedding('../data/cell2embedding.pkl')
 
     # Cross-Validation Training
-    report = []
+    reports = defaultdict(list)
     for split_type, indeces in test_indeces.items():
         test_df = active_df.loc[indeces].copy()
         train_val_df = active_df[~active_df.index.isin(test_df.index)].copy()
@@ -276,7 +279,7 @@ def main(
 
         # Start the experiment
         experiment_name = f'{active_name}_test_split_{test_split}_{split_type}'
-        reports = pdp.hyperparameter_tuning_and_training(
+        optuna_reports = pdp.hyperparameter_tuning_and_training(
             protein2embedding=protein2embedding,
             cell2embedding=cell2embedding,
             smiles2fp=smiles2fp,
@@ -289,16 +292,26 @@ def main(
             fast_dev_run=fast_dev_run,
             n_trials=n_trials,
             max_epochs=max_epochs,
+            logger_save_dir='../logs',
             logger_name=f'logs_{experiment_name}',
             active_label=active_col,
             study_filename=f'../reports/study_{experiment_name}.pkl',
         )
-        cv_report, hparam_report, test_report, ablation_report = reports
+        cv_report, hparam_report, test_report, ablation_report = optuna_reports
 
         # Save the reports to file
         for report, filename in zip([cv_report, hparam_report, test_report, ablation_report], ['cv_train', 'hparams', 'test', 'ablation']):
             report.to_csv(f'../reports/report_{filename}_{experiment_name}.csv', index=False)
 
+        reports['cv'].append(cv_report.copy())
+        reports['hparam'].append(hparam_report.copy())
+        reports['test'].append(test_report.copy())
+        reports['ablation'].append(ablation_report.copy())
+    
+    # Save the reports to file after concatenating them
+    for key, report in reports.items():
+        report = pd.concat(report)
+        report.to_csv(f'../reports/report_{key}_{active_name}_test_split_{test_split}.csv', index=False)