From c0e5f912b6b99aafb8df2b05cb119d6c6d368135 Mon Sep 17 00:00:00 2001 From: Frenio Redeker Date: Sat, 12 Oct 2024 21:30:44 -0400 Subject: [PATCH] Added attribute descriptors to RDKitDescriptors (#4138) * added self.descriptors to RDKitDescriptors * changed syntax for RDKitDescriptors descriptors attribute --- deepchem/feat/molecule_featurizers/rdkit_descriptors.py | 1 + 1 file changed, 1 insertion(+) diff --git a/deepchem/feat/molecule_featurizers/rdkit_descriptors.py b/deepchem/feat/molecule_featurizers/rdkit_descriptors.py index 387a7aca87..2b92ed4dda 100644 --- a/deepchem/feat/molecule_featurizers/rdkit_descriptors.py +++ b/deepchem/feat/molecule_featurizers/rdkit_descriptors.py @@ -97,6 +97,7 @@ def __init__(self, self.normalized_desc: Dict[str, Callable] = {} all_descriptors = {name: func for name, func in Descriptors.descList} + self.descriptors = all_descriptors if not descriptors: # user has not specified a descriptor list