Contents:
ScikitPredictorBase
DataInterface
DataInterface.check_train_test_split_exists()
DataInterface.dump_gin_config()
DataInterface.dump_gin_config_to_model_dir()
DataInterface.dump_logs()
DataInterface.dump_training_logs()
DataInterface.get_by_friendly_name()
DataInterface.get_clean_smiles_df()
DataInterface.get_label_col_in_raw()
DataInterface.get_normalized_df()
DataInterface.get_smiles_col_in_raw()
DataInterface.get_split_friendly_names()
DataInterface.get_train_test_friendly_names()
DataInterface.load_hyperparams()
DataInterface.pickle_model()
DataInterface.save_hyperparams()
DataInterface.save_metrics()
DataInterface.save_model_metadata()
DataInterface.save_train_test_split()
DataInterface.save_visualization()
DataInterface.set_logfile()
DataInterface.set_override_cache()
DataInterface.set_task_setting()
DataInterface.unpickle_model()
DataInterface.update_datasets_registry()
DataInterface.update_registries()
DataInterface.update_splits_registry()
EcfpFeaturizer
EcfpFeaturizer.feature_name
EcfpFeaturizer.featurize()
EcfpFeaturizer.get_hashable_params_values()
EcfpFeaturizer.name
FeaturizerBase
FeaturizerBase.feature_name
FeaturizerBase.featurize()
FeaturizerBase.get_cache_key()
FeaturizerBase.get_hashable_params_values()
FeaturizerBase.name
KlekotaRothFeaturizer
KlekotaRothFeaturizer.feature_name
KlekotaRothFeaturizer.featurize()
KlekotaRothFeaturizer.get_hashable_params_values()
KlekotaRothFeaturizer.name
MaccsFeaturizer
MaccsFeaturizer.feature_name
MaccsFeaturizer.featurize()
MaccsFeaturizer.get_hashable_params_values()
MaccsFeaturizer.name
Map4Featurizer
Map4Featurizer.feature_name
Map4Featurizer.featurize()
Map4Featurizer.get_hashable_params_values()
Map4Featurizer.name
PropertyEcfpFeaturizer
PropertyEcfpFeaturizer.feature_name
PropertyEcfpFeaturizer.featurize()
PropertyEcfpFeaturizer.get_hashable_params_values()
PropertyEcfpFeaturizer.name
PropertyFeaturizer
PropertyFeaturizer.feature_name
PropertyFeaturizer.featurize()
PropertyFeaturizer.get_hashable_params_values()
PropertyFeaturizer.name
ProcessingPipeline
ProcessingPipeline.run()
Empty section