diff --git a/gufe/components/explicitmoleculecomponent.py b/gufe/components/explicitmoleculecomponent.py index fe5e7c59..dc8d80b0 100644 --- a/gufe/components/explicitmoleculecomponent.py +++ b/gufe/components/explicitmoleculecomponent.py @@ -9,6 +9,10 @@ # typing from ..custom_typing import RDKitMol +# globally set RDKit to include all properties when pickling an RDKit Mol +# see issue #322: https://github.com/OpenFreeEnergy/gufe/issues/322 +Chem.SetDefaultPickleProperties(Chem.PropertyPickleOptions.AllProps) + def _ensure_ofe_name(mol: RDKitMol, name: str) -> str: """