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MolecularAI / Chemformer

Apache License 2.0
204 stars 35 forks source link

install #5

Closed vthost closed 2 years ago

vthost commented 2 years ago

I was running into several issues with the described setup. First cuda 11.1 did not work with the described fairscale. I resolved that by using 0.4.1. I also dropped optuna for now because the installation seems to downgrade pytorch. Just wanted to leave it here in case others run into similar issues. It seems to run now.

EBjerrum commented 2 years ago

OK, have you tried to download the pretrained weights from the link in the readme and finetune?