Spaces:
Running
Running
Update inference.py
Browse files- inference.py +0 -3
inference.py
CHANGED
@@ -284,10 +284,7 @@ class Inference(object):
|
|
284 |
"snn_chembl": [snn_chembl], "snn_drug": [snn_drug],
|
285 |
"IntDiv": [int_div], "qed": [qed], "sa": [sa]})
|
286 |
search_res = pd.concat([search_res, model_res], axis=0)
|
287 |
-
os.remove("experiments/inference/{}/inference_drugs.txt".format(self.submodel))
|
288 |
-
search_res.to_csv("experiments/inference/{}/inference_results.csv".format(self.submodel), index=False)
|
289 |
generatedsmiles = pd.DataFrame({"SMILES": gen_smi})
|
290 |
-
generatedsmiles.to_csv("experiments/inference/{}/inference_drugs.csv".format(self.submodel), index=False)
|
291 |
|
292 |
return model_res
|
293 |
|
|
|
284 |
"snn_chembl": [snn_chembl], "snn_drug": [snn_drug],
|
285 |
"IntDiv": [int_div], "qed": [qed], "sa": [sa]})
|
286 |
search_res = pd.concat([search_res, model_res], axis=0)
|
|
|
|
|
287 |
generatedsmiles = pd.DataFrame({"SMILES": gen_smi})
|
|
|
288 |
|
289 |
return model_res
|
290 |
|