diff --git a/scikit_mol/standardizer.py b/scikit_mol/standardizer.py index b08e4bd..7dc9f32 100644 --- a/scikit_mol/standardizer.py +++ b/scikit_mol/standardizer.py @@ -29,6 +29,8 @@ def transform(self, X): if self.neutralize: uncharger = rdMolStandardize.Uncharger() uncharged_parent_clean_mol = uncharger.uncharge(parent_clean_mol) + else: + uncharged_parent_clean_mol = parent_clean_mol # Add to final list arr.append(uncharged_parent_clean_mol)