Clay Kosonocky

@amelie-iska I had the same issue. Changing most conda installs to pip installs fixed this for me. This is the docker file that worked: ``` FROM nvcr.io/nvidia/pytorch:22.01-py3 as base #create...

Actually, I'm starting to think that the filesystem on GitHub isn't the same directory layout as you have in the code. Unless I am mistaken? In compute_score.py: Line 20: `parser.add_argument('--root',...

In my repo I changed any mention of "{root}/chemical" to "{root}/BARTSmiles/chemical", and made sure my --root was the directory in which the BARTSmiles folder was stored, and everything ran fine....