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saicharan2804
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2727a59
app.py cleaned
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app.py
CHANGED
@@ -17,22 +17,3 @@ iface = gr.Interface(
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iface.launch()
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# import pandas as pd
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# from molgenevalmetric import penalized_logp
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# import evaluate
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# df = pd.read_csv('/Users/saicharan/chembl_10000.csv')
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# ls= df['SMILES'].tolist()
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# ls_gen = ls[0:500]
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# ls_train = ls[500:1000]
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# print('computing')
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# print(penalized_logp(gen=ls_gen))
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# print(SYBAscore(gen=ls_gen))
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# print(qed_metric(gen=ls_gen))
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# print(logP_metric(gen=ls_gen))
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# print(average_sascore(gen=ls_gen))
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# print(oracles(gen=ls_gen, train=ls_train))
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# met = evaluate.load("saicharan2804/molgenevalmetric")
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# print(met.compute(gensmi = ls_gen, trainsmi = ls_train))
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iface.launch()
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