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Update app.py
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app.py
CHANGED
@@ -60,4 +60,4 @@ if type(mol) == None:
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output += scores
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output = [input_compound] + output
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output_df = pd.DataFrame(np.array(output).reshape(1, -1), columns=['input'] + [f'{i}th' for i in range(CFG.num_beams)] + ['valid compound'] + [f'{i}th score' for i in range(CFG.num_beams)] + ['valid compound score'])
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print(
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output += scores
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output = [input_compound] + output
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output_df = pd.DataFrame(np.array(output).reshape(1, -1), columns=['input'] + [f'{i}th' for i in range(CFG.num_beams)] + ['valid compound'] + [f'{i}th score' for i in range(CFG.num_beams)] + ['valid compound score'])
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+
print(output)
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