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Added attribute descriptors to RDKitDescriptors (deepchem#4138)
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* added self.descriptors to RDKitDescriptors

* changed syntax for RDKitDescriptors descriptors attribute
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frenio authored Oct 13, 2024
1 parent 8c46096 commit c0e5f91
Showing 1 changed file with 1 addition and 0 deletions.
1 change: 1 addition & 0 deletions deepchem/feat/molecule_featurizers/rdkit_descriptors.py
Original file line number Diff line number Diff line change
Expand Up @@ -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
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