emmas96 commited on
Commit
f3a9290
·
verified ·
1 Parent(s): 0a5271f

update DrugBank retrieval

Browse files
Files changed (1) hide show
  1. app.py +1 -1
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': np.concatenate(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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  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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