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facebookresearch / esm

Evolutionary Scale Modeling (esm): Pretrained language models for proteins
MIT License
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How to install the esm-fold interface? #577

Open johnnytam100 opened 1 year ago

johnnytam100 commented 1 year ago

Hi, I have already built the environment with the environment.yml + installed openfold + dllogger. I wonder how to call the esm-fold command.

yzhang-github-pub commented 1 year ago

I have the same question. I setup the environment with conda, installed dllogger and openfold. Then with conda activated, I typed 'esm-fold' in command line , but got 'command not found' error.

dacolombo commented 1 year ago

Hi, I had your same issue and I solved it by running the following command from inside the esm cloned directory:

python3 -m pip install --no-deps .

After that I was able to run the esm-fold command. I think this is due to the fact that the fair-esm package installed with pip install fair-esm is v2.0.0, and the console scripts like esm-fold were added after that version. I hope this is also useful for you.

yzhang-github-pub commented 1 year ago

Thanks @dacolombo. I bypassed the issue by running scripts/fold.py inside the cloned repo.