Loading deepchem/utils/pdbqt_utils.py +1 −1 Original line number Diff line number Diff line Loading @@ -68,7 +68,7 @@ def convert_protein_to_pdbqt(mol: RDKitMol, outfile: str) -> None: def mol_to_graph(mol: RDKitMol): """Convert rdkit.Chem.rdchem.Mol to NetworkX graph """Convert RDKit Mol to NetworkX graph Convert mol into a graph representation atoms are nodes, and bonds are vertices stored as graph Loading Loading
deepchem/utils/pdbqt_utils.py +1 −1 Original line number Diff line number Diff line Loading @@ -68,7 +68,7 @@ def convert_protein_to_pdbqt(mol: RDKitMol, outfile: str) -> None: def mol_to_graph(mol: RDKitMol): """Convert rdkit.Chem.rdchem.Mol to NetworkX graph """Convert RDKit Mol to NetworkX graph Convert mol into a graph representation atoms are nodes, and bonds are vertices stored as graph Loading
