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Update app/utils.py
Browse files- app/utils.py +2 -1
app/utils.py
CHANGED
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@@ -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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