update DrugBank retrieval
Browse files
app.py
CHANGED
@@ -214,7 +214,7 @@ def retrieval():
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lookup = pickle.load(handle)
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drug_id = np.concatenate(smiles)
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structure = [lookup[i] for i in drug_id]
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-
results = pd.DataFrame({'SMILES':
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results = results.sort_values(by='Prediction', ascending=False)
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results = results.reset_index()
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lookup = pickle.load(handle)
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drug_id = np.concatenate(smiles)
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structure = [lookup[i] for i in drug_id]
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+
results = pd.DataFrame({'SMILES': structure, 'DrugBank ID': drug_id, 'Prediction': np.concatenate(preds)})
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results = results.sort_values(by='Prediction', ascending=False)
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results = results.reset_index()
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