Update morgan_desc.py
Browse files- morgan_desc.py +4 -3
morgan_desc.py
CHANGED
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@@ -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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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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+
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