Open meowcat opened 3 years ago
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!
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!