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Support for ESMfold with newer Ubuntu and CUDA version

Open Wan8uq1 opened this issue 1 year ago • 9 comments

Hi, First of all, thanks for all works put in. The system I have is Ubuntu 22.04 My issue is as follow. I am trying to use ESMfold which is depend on Openfold. What I did was installing https://github.com/aqlaboratory/openfold/tree/pl_upgrades to my environment and then install ESMfold via pip install "fair-esm[esmfold]" I run into this error when using the ESMFold Structure Prediction test script from ESMfold README RuntimeError: Keys 'trunk.structure_module.ipa.linear_q_points.linear.weight, trunk.structure_module.ipa.linear_q_points.linear.bias, trunk.structure_module.ipa.linear_kv_points.linear.bias, trunk.structure_module.ipa.linear_kv_points.linear.weight' are missing. From there I've found this thread on the issue: https://github.com/facebookresearch/esm/issues/435 and the resolution is seems is to use openfold v1. However, openfold v1 is using cuda 11.3 which is not supported on Ubuntu 22.04. It really seems this a dead end.

It is frustrating as I struggled for a week and couldn't find solution. Please spare some help. Sincerely thanks!

Wan8uq1 avatar Nov 02 '24 00:11 Wan8uq1