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07bbcca
1
Parent(s):
78d398a
Update app.py
Browse files
app.py
CHANGED
@@ -291,6 +291,16 @@ def get_data_from_xlsx(file_name):
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return X_test
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def predict_single(smile,PE,EA,DCM,MeOH,Et20):
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config = parse_args()
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config.add_dipole = False
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eluent_sum=PE+EA+DCM+MeOH+Et20
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return X_test
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def predict_single(smile,PE,EA,DCM,MeOH,Et20):
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if PE==None:
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PE=0
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if EA==None:
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EA=0
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if DCM==None:
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DCM=0
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if MeOH==None:
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MeOH=0
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if Et20==None:
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Et20=0
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config = parse_args()
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config.add_dipole = False
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eluent_sum=PE+EA+DCM+MeOH+Et20
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