ligdis commited on
Commit
9b21641
·
verified ·
1 Parent(s): 0934105

Update morgan_desc.py

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Files changed (1) hide show
  1. morgan_desc.py +4 -3
morgan_desc.py CHANGED
@@ -19,12 +19,13 @@ class MorganFingerprint(object):
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  R += [fingerprint]
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  X = np.array(R, dtype=int)
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  return X
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-
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  def fit(self, smiles):
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- X = get_ecfp_fingerprint(smiles)
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  self.variance_filter.fit(X)
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  def transform(self, smiles):
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- X = get_ecfp_fingerprint(smiles)
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  X = self.variance_filter.transform(X)
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  return X
 
 
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  R += [fingerprint]
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  X = np.array(R, dtype=int)
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  return X
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+
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  def fit(self, smiles):
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+ X = self.get_ecfp_fingerprint(smiles)
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  self.variance_filter.fit(X)
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  def transform(self, smiles):
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+ X = self.get_ecfp_fingerprint(smiles)
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  X = self.variance_filter.transform(X)
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  return X
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+