Loading deepchem/molnet/load_function/pdbbind_datasets.py +5 −5 Original line number Diff line number Diff line Loading @@ -47,12 +47,12 @@ class _PDBBindLoader(_MolnetLoader): def _process_pdbs(self) -> Tuple[List[str], List[str], np.array, List[str]]: if self.set_name == 'general': data_folder = os.path.join(self.data_dir, 'v2019-other-PL') index_labels_file = os.path.join( data_folder, 'index/INDEX_general_PL_data.2019') index_labels_file = os.path.join(data_folder, 'index/INDEX_general_PL_data.2019') elif self.set_name == 'refined': data_folder = os.path.join(self.data_dir, 'refined-set') index_labels_file = os.path.join( data_folder, 'index/INDEX_refined_data.2019') index_labels_file = os.path.join(data_folder, 'index/INDEX_refined_data.2019') # Extract locations of data with open(index_labels_file, "r") as g: Loading Loading
deepchem/molnet/load_function/pdbbind_datasets.py +5 −5 Original line number Diff line number Diff line Loading @@ -47,12 +47,12 @@ class _PDBBindLoader(_MolnetLoader): def _process_pdbs(self) -> Tuple[List[str], List[str], np.array, List[str]]: if self.set_name == 'general': data_folder = os.path.join(self.data_dir, 'v2019-other-PL') index_labels_file = os.path.join( data_folder, 'index/INDEX_general_PL_data.2019') index_labels_file = os.path.join(data_folder, 'index/INDEX_general_PL_data.2019') elif self.set_name == 'refined': data_folder = os.path.join(self.data_dir, 'refined-set') index_labels_file = os.path.join( data_folder, 'index/INDEX_refined_data.2019') index_labels_file = os.path.join(data_folder, 'index/INDEX_refined_data.2019') # Extract locations of data with open(index_labels_file, "r") as g: Loading
