Commit 29a51bc6 authored by yurievnamaria's avatar yurievnamaria
Browse files

typo fix

parent 713215d9
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+1 −1
Original line number Diff line number Diff line
@@ -730,7 +730,7 @@ class ConvMolFeaturizer(MolecularFeaturizer):
    features = super(ConvMolFeaturizer, self).featurize(
        molecules, log_every_n=1000)
    if self.per_atom_fragmentation:
      # create temporary valid ids seving to filter out failed featurizations from every sublist
      # create temporary valid ids serving to filter out failed featurizations from every sublist
      # of features (i.e. every molecules' frags list), and also totally failed sublists.
      # This makes output digestable by Loaders
      valid_frag_inds = [[
+2 −4
Original line number Diff line number Diff line
@@ -1087,12 +1087,10 @@ class FlatteningTransformer(Transformer):
              for i in X], axis=0)  # each fragment should recieve parent mol id
    if self.transform_y:
      y = np.repeat(
          y, [len(i) for i in X], axis=0
      )  # for consistency of shapes each fragment should recieve parent mol y
          y, [len(i) for i in X], axis=0)  # for consistency of shapes each fragment should recieve parent mol y
    if self.transform_w:
      w = np.repeat(
          w, [len(i) for i in X], axis=0
      )  # for consistency of shapes each fragment should recieve parent mol w
          w, [len(i) for i in X], axis=0)  # for consistency of shapes each fragment should recieve parent mol w
    X = np.array([j for i in X for j in i])  # flatten
    return (X, y, w, ids)