Wonseok Shin
Wonseok Shin
Hi! I got a same issue while using Lilly demerits filter. I was able to proceed by dropping rows corresponding to missing molecules supplied by the user. If this is...
@maclandrol I have experienced similar issue in December, and I proceeded with dropping those "lillymol-invalid" SMILES. I would be happy to make PR of my temporary fix. However I thought...
@maclandrol Thank you for the suggestion! I’ve opened a PR #31 implementing option 3; adding new demerit reason "lillymol_invalid". Could you take a look and let me know if this...