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I tried out the NAPLES scorer with simple benzene C1=CC=CC=C1, and got the error:
"Unexpected case. Please submit this case at the issues tracker at GitHub"
A bit surprising, not exactly the most complex molecule :)
Hi,
I tried out the NAPLES scorer with simple benzene C1=CC=CC=C1, and got the error:
"Unexpected case. Please submit this case at the issues tracker at GitHub"
A bit surprising, not exactly the most complex molecule :)
Anyway, thanks for your work!