diff --git a/DeepPurpose/dataset.py b/DeepPurpose/dataset.py index 92fc85b..41d5ac5 100644 --- a/DeepPurpose/dataset.py +++ b/DeepPurpose/dataset.py @@ -259,7 +259,7 @@ def process_BindingDB(path = None, df = None, y = 'Kd', binary = False, \ df_want = df_want[['BindingDB Reactant_set_id', 'Ligand InChI', 'Ligand SMILES',\ 'PubChem CID', 'UniProt (SwissProt) Primary ID of Target Chain',\ - 'BindingDB Target Chain Sequence'] + idx_str] + 'BindingDB Target Chain Sequence'] + idx_str] for y in idx_str: df_want[y] = df_want[y].str.replace('>', '') @@ -274,7 +274,7 @@ def process_BindingDB(path = None, df = None, y = 'Kd', binary = False, \ 'Ligand InChI':'InChI', 'PubChem CID':'PubChem_ID', 'UniProt (SwissProt) Primary ID of Target Chain':'UniProt_ID', - 'BindingDB Target Chain Sequence': 'Target Sequence'}, + 'BindingDB Target Chain Sequence': 'Target Sequence'}, inplace=True) # have at least uniprot or pubchem ID