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<section id="protac-degradation-predictor"> |
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<h1>protac_degradation_predictor<a class="headerlink" href="#protac-degradation-predictor" title="Link to this heading"></a></h1> |
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<div class="toctree-wrapper compound"> |
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<ul> |
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<li class="toctree-l1"><a class="reference internal" href="protac_degradation_predictor.html">protac_degradation_predictor package</a><ul> |
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<li class="toctree-l2"><a class="reference internal" href="protac_degradation_predictor.html#subpackages">Subpackages</a><ul> |
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<li class="toctree-l3"><a class="reference internal" href="protac_degradation_predictor.optuna.html">protac_degradation_predictor.optuna package</a><ul> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.optuna.html#submodules">Submodules</a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.optuna.html#protac-degradation-predictor-optuna-pytorch-models-module">protac_degradation_predictor.optuna.pytorch_models module</a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.optuna.html#protac-degradation-predictor-optuna-sklearn-models-module">protac_degradation_predictor.optuna.sklearn_models module</a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.optuna.html#module-protac_degradation_predictor.optuna.utils">protac_degradation_predictor.optuna.utils module</a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.optuna.html#protac-degradation-predictor-optuna-xgboost-models-module">protac_degradation_predictor.optuna.xgboost_models module</a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.optuna.html#module-protac_degradation_predictor.optuna">Module contents</a></li> |
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</ul> |
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</li> |
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</ul> |
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</li> |
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<li class="toctree-l2"><a class="reference internal" href="protac_degradation_predictor.html#submodules">Submodules</a></li> |
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<li class="toctree-l2"><a class="reference internal" href="protac_degradation_predictor.html#module-protac_degradation_predictor.config">protac_degradation_predictor.config module</a><ul> |
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<li class="toctree-l3"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.config.Config"><code class="docutils literal notranslate"><span class="pre">Config</span></code></a><ul> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.config.Config.morgan_radius"><code class="docutils literal notranslate"><span class="pre">Config.morgan_radius</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.config.Config.fingerprint_size"><code class="docutils literal notranslate"><span class="pre">Config.fingerprint_size</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.config.Config.protein_embedding_size"><code class="docutils literal notranslate"><span class="pre">Config.protein_embedding_size</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.config.Config.cell_embedding_size"><code class="docutils literal notranslate"><span class="pre">Config.cell_embedding_size</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.config.Config.dmax_threshold"><code class="docutils literal notranslate"><span class="pre">Config.dmax_threshold</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.config.Config.pdc50_threshold"><code class="docutils literal notranslate"><span class="pre">Config.pdc50_threshold</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.config.Config.active_label"><code class="docutils literal notranslate"><span class="pre">Config.active_label</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.config.Config.e3_ligase2uniprot"><code class="docutils literal notranslate"><span class="pre">Config.e3_ligase2uniprot</span></code></a></li> |
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</ul> |
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</li> |
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</ul> |
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</li> |
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<li class="toctree-l2"><a class="reference internal" href="protac_degradation_predictor.html#module-protac_degradation_predictor.data_utils">protac_degradation_predictor.data_utils module</a><ul> |
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<li class="toctree-l3"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.data_utils.avail_e3_ligases"><code class="docutils literal notranslate"><span class="pre">avail_e3_ligases()</span></code></a></li> |
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<li class="toctree-l3"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.data_utils.avail_cell_lines"><code class="docutils literal notranslate"><span class="pre">avail_cell_lines()</span></code></a></li> |
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<li class="toctree-l3"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.data_utils.avail_uniprots"><code class="docutils literal notranslate"><span class="pre">avail_uniprots()</span></code></a></li> |
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<li class="toctree-l3"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.data_utils.get_fingerprint"><code class="docutils literal notranslate"><span class="pre">get_fingerprint()</span></code></a></li> |
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<li class="toctree-l3"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.data_utils.is_active"><code class="docutils literal notranslate"><span class="pre">is_active()</span></code></a></li> |
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<li class="toctree-l3"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.data_utils.load_curated_dataset"><code class="docutils literal notranslate"><span class="pre">load_curated_dataset()</span></code></a></li> |
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</ul> |
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</li> |
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<li class="toctree-l2"><a class="reference internal" href="protac_degradation_predictor.html#module-protac_degradation_predictor.optuna_utils">protac_degradation_predictor.optuna_utils module</a><ul> |
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<li class="toctree-l3"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.optuna_utils.get_dataframe_stats"><code class="docutils literal notranslate"><span class="pre">get_dataframe_stats()</span></code></a></li> |
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<li class="toctree-l3"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.optuna_utils.get_majority_vote_metrics"><code class="docutils literal notranslate"><span class="pre">get_majority_vote_metrics()</span></code></a></li> |
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<li class="toctree-l3"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.optuna_utils.get_suggestion"><code class="docutils literal notranslate"><span class="pre">get_suggestion()</span></code></a></li> |
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<li class="toctree-l3"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.optuna_utils.pytorch_model_objective"><code class="docutils literal notranslate"><span class="pre">pytorch_model_objective()</span></code></a></li> |
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<li class="toctree-l3"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.optuna_utils.hyperparameter_tuning_and_training"><code class="docutils literal notranslate"><span class="pre">hyperparameter_tuning_and_training()</span></code></a></li> |
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</ul> |
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</li> |
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<li class="toctree-l2"><a class="reference internal" href="protac_degradation_predictor.html#module-protac_degradation_predictor.optuna_utils_xgboost">protac_degradation_predictor.optuna_utils_xgboost module</a><ul> |
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<li class="toctree-l3"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.optuna_utils_xgboost.get_confidence_scores"><code class="docutils literal notranslate"><span class="pre">get_confidence_scores()</span></code></a></li> |
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<li class="toctree-l3"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.optuna_utils_xgboost.train_and_evaluate_xgboost"><code class="docutils literal notranslate"><span class="pre">train_and_evaluate_xgboost()</span></code></a></li> |
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<li class="toctree-l3"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.optuna_utils_xgboost.xgboost_model_objective"><code class="docutils literal notranslate"><span class="pre">xgboost_model_objective()</span></code></a></li> |
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<li class="toctree-l3"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.optuna_utils_xgboost.xgboost_hyperparameter_tuning_and_training"><code class="docutils literal notranslate"><span class="pre">xgboost_hyperparameter_tuning_and_training()</span></code></a></li> |
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</ul> |
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</li> |
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<li class="toctree-l2"><a class="reference internal" href="protac_degradation_predictor.html#module-protac_degradation_predictor.protac_dataset">protac_degradation_predictor.protac_dataset module</a><ul> |
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<li class="toctree-l3"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.protac_dataset.PROTAC_Dataset"><code class="docutils literal notranslate"><span class="pre">PROTAC_Dataset</span></code></a><ul> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.protac_dataset.PROTAC_Dataset.get_smiles_emb_dim"><code class="docutils literal notranslate"><span class="pre">PROTAC_Dataset.get_smiles_emb_dim()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.protac_dataset.PROTAC_Dataset.get_protein_emb_dim"><code class="docutils literal notranslate"><span class="pre">PROTAC_Dataset.get_protein_emb_dim()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.protac_dataset.PROTAC_Dataset.get_cell_emb_dim"><code class="docutils literal notranslate"><span class="pre">PROTAC_Dataset.get_cell_emb_dim()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.protac_dataset.PROTAC_Dataset.apply_smote"><code class="docutils literal notranslate"><span class="pre">PROTAC_Dataset.apply_smote()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.protac_dataset.PROTAC_Dataset.fit_scaling"><code class="docutils literal notranslate"><span class="pre">PROTAC_Dataset.fit_scaling()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.protac_dataset.PROTAC_Dataset.apply_scaling"><code class="docutils literal notranslate"><span class="pre">PROTAC_Dataset.apply_scaling()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.protac_dataset.PROTAC_Dataset.get_numpy_arrays"><code class="docutils literal notranslate"><span class="pre">PROTAC_Dataset.get_numpy_arrays()</span></code></a></li> |
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</ul> |
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</li> |
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<li class="toctree-l3"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.protac_dataset.get_datasets"><code class="docutils literal notranslate"><span class="pre">get_datasets()</span></code></a></li> |
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<li class="toctree-l3"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.protac_dataset.PROTAC_DataModule"><code class="docutils literal notranslate"><span class="pre">PROTAC_DataModule</span></code></a><ul> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.protac_dataset.PROTAC_DataModule.setup"><code class="docutils literal notranslate"><span class="pre">PROTAC_DataModule.setup()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.protac_dataset.PROTAC_DataModule.train_dataloader"><code class="docutils literal notranslate"><span class="pre">PROTAC_DataModule.train_dataloader()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.protac_dataset.PROTAC_DataModule.val_dataloader"><code class="docutils literal notranslate"><span class="pre">PROTAC_DataModule.val_dataloader()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.protac_dataset.PROTAC_DataModule.test_dataloader"><code class="docutils literal notranslate"><span class="pre">PROTAC_DataModule.test_dataloader()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.protac_dataset.PROTAC_DataModule.get_random_split_indices"><code class="docutils literal notranslate"><span class="pre">PROTAC_DataModule.get_random_split_indices()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.protac_dataset.PROTAC_DataModule.get_e3_ligase_split_indices"><code class="docutils literal notranslate"><span class="pre">PROTAC_DataModule.get_e3_ligase_split_indices()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.protac_dataset.PROTAC_DataModule.get_smiles2fp_and_avg_tanimoto"><code class="docutils literal notranslate"><span class="pre">PROTAC_DataModule.get_smiles2fp_and_avg_tanimoto()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.protac_dataset.PROTAC_DataModule.get_tanimoto_split_indices"><code class="docutils literal notranslate"><span class="pre">PROTAC_DataModule.get_tanimoto_split_indices()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.protac_dataset.PROTAC_DataModule.get_target_split_indices"><code class="docutils literal notranslate"><span class="pre">PROTAC_DataModule.get_target_split_indices()</span></code></a></li> |
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</ul> |
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</li> |
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</ul> |
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</li> |
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<li class="toctree-l2"><a class="reference internal" href="protac_degradation_predictor.html#module-protac_degradation_predictor.protac_degradation_predictor">protac_degradation_predictor.protac_degradation_predictor module</a><ul> |
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<li class="toctree-l3"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.protac_degradation_predictor.get_protac_active_proba"><code class="docutils literal notranslate"><span class="pre">get_protac_active_proba()</span></code></a></li> |
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<li class="toctree-l3"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.protac_degradation_predictor.is_protac_active"><code class="docutils literal notranslate"><span class="pre">is_protac_active()</span></code></a></li> |
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<li class="toctree-l3"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.protac_degradation_predictor.get_protac_embedding"><code class="docutils literal notranslate"><span class="pre">get_protac_embedding()</span></code></a></li> |
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</ul> |
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</li> |
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<li class="toctree-l2"><a class="reference internal" href="protac_degradation_predictor.html#module-protac_degradation_predictor.pytorch_models">protac_degradation_predictor.pytorch_models module</a><ul> |
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<li class="toctree-l3"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Predictor"><code class="docutils literal notranslate"><span class="pre">PROTAC_Predictor</span></code></a><ul> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Predictor.forward"><code class="docutils literal notranslate"><span class="pre">PROTAC_Predictor.forward()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Predictor.T_destination"><code class="docutils literal notranslate"><span class="pre">PROTAC_Predictor.T_destination</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Predictor.add_module"><code class="docutils literal notranslate"><span class="pre">PROTAC_Predictor.add_module()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Predictor.apply"><code class="docutils literal notranslate"><span class="pre">PROTAC_Predictor.apply()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Predictor.bfloat16"><code class="docutils literal notranslate"><span class="pre">PROTAC_Predictor.bfloat16()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Predictor.buffers"><code class="docutils literal notranslate"><span class="pre">PROTAC_Predictor.buffers()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Predictor.call_super_init"><code class="docutils literal notranslate"><span class="pre">PROTAC_Predictor.call_super_init</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Predictor.children"><code class="docutils literal notranslate"><span class="pre">PROTAC_Predictor.children()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Predictor.cpu"><code class="docutils literal notranslate"><span class="pre">PROTAC_Predictor.cpu()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Predictor.cuda"><code class="docutils literal notranslate"><span class="pre">PROTAC_Predictor.cuda()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Predictor.double"><code class="docutils literal notranslate"><span class="pre">PROTAC_Predictor.double()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Predictor.dump_patches"><code class="docutils literal notranslate"><span class="pre">PROTAC_Predictor.dump_patches</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Predictor.eval"><code class="docutils literal notranslate"><span class="pre">PROTAC_Predictor.eval()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Predictor.extra_repr"><code class="docutils literal notranslate"><span class="pre">PROTAC_Predictor.extra_repr()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Predictor.float"><code class="docutils literal notranslate"><span class="pre">PROTAC_Predictor.float()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Predictor.get_buffer"><code class="docutils literal notranslate"><span class="pre">PROTAC_Predictor.get_buffer()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Predictor.get_extra_state"><code class="docutils literal notranslate"><span class="pre">PROTAC_Predictor.get_extra_state()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Predictor.get_parameter"><code class="docutils literal notranslate"><span class="pre">PROTAC_Predictor.get_parameter()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Predictor.get_submodule"><code class="docutils literal notranslate"><span class="pre">PROTAC_Predictor.get_submodule()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Predictor.half"><code class="docutils literal notranslate"><span class="pre">PROTAC_Predictor.half()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Predictor.ipu"><code class="docutils literal notranslate"><span class="pre">PROTAC_Predictor.ipu()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Predictor.load_state_dict"><code class="docutils literal notranslate"><span class="pre">PROTAC_Predictor.load_state_dict()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Predictor.modules"><code class="docutils literal notranslate"><span class="pre">PROTAC_Predictor.modules()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Predictor.named_buffers"><code class="docutils literal notranslate"><span class="pre">PROTAC_Predictor.named_buffers()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Predictor.named_children"><code class="docutils literal notranslate"><span class="pre">PROTAC_Predictor.named_children()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Predictor.named_modules"><code class="docutils literal notranslate"><span class="pre">PROTAC_Predictor.named_modules()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Predictor.named_parameters"><code class="docutils literal notranslate"><span class="pre">PROTAC_Predictor.named_parameters()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Predictor.parameters"><code class="docutils literal notranslate"><span class="pre">PROTAC_Predictor.parameters()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Predictor.register_backward_hook"><code class="docutils literal notranslate"><span class="pre">PROTAC_Predictor.register_backward_hook()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Predictor.register_buffer"><code class="docutils literal notranslate"><span class="pre">PROTAC_Predictor.register_buffer()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Predictor.register_forward_hook"><code class="docutils literal notranslate"><span class="pre">PROTAC_Predictor.register_forward_hook()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Predictor.register_forward_pre_hook"><code class="docutils literal notranslate"><span class="pre">PROTAC_Predictor.register_forward_pre_hook()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Predictor.register_full_backward_hook"><code class="docutils literal notranslate"><span class="pre">PROTAC_Predictor.register_full_backward_hook()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Predictor.register_full_backward_pre_hook"><code class="docutils literal notranslate"><span class="pre">PROTAC_Predictor.register_full_backward_pre_hook()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Predictor.register_load_state_dict_post_hook"><code class="docutils literal notranslate"><span class="pre">PROTAC_Predictor.register_load_state_dict_post_hook()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Predictor.register_module"><code class="docutils literal notranslate"><span class="pre">PROTAC_Predictor.register_module()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Predictor.register_parameter"><code class="docutils literal notranslate"><span class="pre">PROTAC_Predictor.register_parameter()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Predictor.register_state_dict_pre_hook"><code class="docutils literal notranslate"><span class="pre">PROTAC_Predictor.register_state_dict_pre_hook()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Predictor.requires_grad_"><code class="docutils literal notranslate"><span class="pre">PROTAC_Predictor.requires_grad_()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Predictor.set_extra_state"><code class="docutils literal notranslate"><span class="pre">PROTAC_Predictor.set_extra_state()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Predictor.share_memory"><code class="docutils literal notranslate"><span class="pre">PROTAC_Predictor.share_memory()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Predictor.state_dict"><code class="docutils literal notranslate"><span class="pre">PROTAC_Predictor.state_dict()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Predictor.to"><code class="docutils literal notranslate"><span class="pre">PROTAC_Predictor.to()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Predictor.to_empty"><code class="docutils literal notranslate"><span class="pre">PROTAC_Predictor.to_empty()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Predictor.type"><code class="docutils literal notranslate"><span class="pre">PROTAC_Predictor.type()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Predictor.xpu"><code class="docutils literal notranslate"><span class="pre">PROTAC_Predictor.xpu()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Predictor.zero_grad"><code class="docutils literal notranslate"><span class="pre">PROTAC_Predictor.zero_grad()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Predictor.training"><code class="docutils literal notranslate"><span class="pre">PROTAC_Predictor.training</span></code></a></li> |
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<li class="toctree-l3"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Model"><code class="docutils literal notranslate"><span class="pre">PROTAC_Model</span></code></a><ul> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Model.initialize_scalers"><code class="docutils literal notranslate"><span class="pre">PROTAC_Model.initialize_scalers()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Model.scale_tensor"><code class="docutils literal notranslate"><span class="pre">PROTAC_Model.scale_tensor()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Model.step"><code class="docutils literal notranslate"><span class="pre">PROTAC_Model.step()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Model.training_step"><code class="docutils literal notranslate"><span class="pre">PROTAC_Model.training_step()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Model.validation_step"><code class="docutils literal notranslate"><span class="pre">PROTAC_Model.validation_step()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Model.test_step"><code class="docutils literal notranslate"><span class="pre">PROTAC_Model.test_step()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Model.configure_optimizers"><code class="docutils literal notranslate"><span class="pre">PROTAC_Model.configure_optimizers()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Model.predict_step"><code class="docutils literal notranslate"><span class="pre">PROTAC_Model.predict_step()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Model.train_dataloader"><code class="docutils literal notranslate"><span class="pre">PROTAC_Model.train_dataloader()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Model.val_dataloader"><code class="docutils literal notranslate"><span class="pre">PROTAC_Model.val_dataloader()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Model.test_dataloader"><code class="docutils literal notranslate"><span class="pre">PROTAC_Model.test_dataloader()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Model.on_save_checkpoint"><code class="docutils literal notranslate"><span class="pre">PROTAC_Model.on_save_checkpoint()</span></code></a></li> |
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<li class="toctree-l4"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.PROTAC_Model.on_load_checkpoint"><code class="docutils literal notranslate"><span class="pre">PROTAC_Model.on_load_checkpoint()</span></code></a></li> |
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<li class="toctree-l3"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.get_confidence_scores"><code class="docutils literal notranslate"><span class="pre">get_confidence_scores()</span></code></a></li> |
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<li class="toctree-l3"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.train_model"><code class="docutils literal notranslate"><span class="pre">train_model()</span></code></a></li> |
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<li class="toctree-l3"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.evaluate_model"><code class="docutils literal notranslate"><span class="pre">evaluate_model()</span></code></a></li> |
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<li class="toctree-l3"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.pytorch_models.load_model"><code class="docutils literal notranslate"><span class="pre">load_model()</span></code></a></li> |
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<li class="toctree-l2"><a class="reference internal" href="protac_degradation_predictor.html#module-protac_degradation_predictor.sklearn_models">protac_degradation_predictor.sklearn_models module</a><ul> |
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<li class="toctree-l3"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.sklearn_models.train_sklearn_model"><code class="docutils literal notranslate"><span class="pre">train_sklearn_model()</span></code></a></li> |
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<li class="toctree-l3"><a class="reference internal" href="protac_degradation_predictor.html#protac_degradation_predictor.sklearn_models.suggest_random_forest"><code class="docutils literal notranslate"><span class="pre">suggest_random_forest()</span></code></a></li> |
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