Commit 0faadc62 authored by peastman's avatar peastman
Browse files

Fixed error using ECFP with PyTorch

parent 9938f211

deepchem/feat/fingerprints.py

+2 −0
Original line number Diff line number Diff line
@@ -2,6 +2,7 @@ 
Topological fingerprints.

"""

from deepchem.feat.base_classes import MolecularFeaturizer

import numpy as np





class CircularFingerprint(MolecularFeaturizer):
@@ -103,6 +104,7 @@ class CircularFingerprint(MolecularFeaturizer): 
          useChirality=self.chiral,

          useBondTypes=self.bonds,

          useFeatures=self.features)

      fp = np.asarray(fp, dtype=np.float)

    return fp



  def __hash__(self):

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