Dear All,
I try this code on ‘FreeSolv_SAMPL.csv’ file:
suppl= Chem.SmilesMolSupplier(smi_input_file,delimiter=',', titleLine=True
,smilesColumn=2)
i=0
for mol in suppl:
if mol != None:
i+=1
print(Chem.MolToSmiles(mol))
print(i)
While Code MolToSmiles works fine using a Pandas loader to get the 642
molecules, the upper code using SmilesMolSupplier return only 488 molecules.
Any idea why it’s not identical ?
BR,
Guillaume
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