Open rsherhod opened 4 months ago
in sascorer.py
you can change
from rdkit.six.moves import cPickle
to import pickle
,
then in line 39, change _fscores = cPickle.load(gzip.open('%s.pkl.gz' % name))
to _fscores = pickle.load(gzip.open('%s.pkl.gz' % name))
delinker_utils/sascorer.py is calling a module of RDKit that was removed in Release_2024.03.1 See change log: https://github.com/rdkit/rdkit/blob/master/ReleaseNotes.md#code-removed-in-this-release-1
I encountered this when trying to run one of your case studies: