Closed ppxasjsm closed 2 years ago
The test for MCS passes with RDKIT version 2018.03, but fails with version 2018.09. Something worth investigating.
For now, I'd suggest dependency of rdkit<=2018.03
Sounds reasonable to pin to that for now and yes, we'll need to investigate.
cc @nividic who I think may be starting to need this soon too. :)
Closing this; maintenance moved to github.com/OpenFreeEnergy/Lomap.
The test for MCS passes with RDKIT version 2018.03, but fails with version 2018.09. Something worth investigating.
For now, I'd suggest dependency of rdkit<=2018.03