clarindasusan commited on
Commit
95d31be
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1 Parent(s): 9f3dedf

Update app/utils.py

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  1. app/utils.py +2 -1
app/utils.py CHANGED
@@ -94,12 +94,13 @@ def smiles_to_features(
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  ], dtype=np.float32)
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  normalized = np.zeros_like(descriptors)
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- '''
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  for i in range(len(descriptors)):
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  min_val, max_val = descriptor_ranges[i]
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  normalized[i] = (descriptors[i] - min_val) / (max_val - min_val)
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  normalized[i] = np.clip(normalized[i], 0.0, 1.0)
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  # STEP 5: Combine fingerprint + descriptors
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  features = np.concatenate([fp_array, descriptors])
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  ], dtype=np.float32)
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  normalized = np.zeros_like(descriptors)
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+
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  for i in range(len(descriptors)):
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  min_val, max_val = descriptor_ranges[i]
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  normalized[i] = (descriptors[i] - min_val) / (max_val - min_val)
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  normalized[i] = np.clip(normalized[i], 0.0, 1.0)
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+ '''
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  # STEP 5: Combine fingerprint + descriptors
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  features = np.concatenate([fp_array, descriptors])
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