facebookresearch / esm

Evolutionary Scale Modeling (esm): Pretrained language models for proteins
MIT License
3.16k stars 627 forks source link

Using ESM2 for structure prediction #311

Closed YFeriel closed 1 year ago

YFeriel commented 1 year ago

I am studying the 3D structure of alternative proteins. I have a dataset of more than 500000 proteins among which 300000 have a msa lower than 30. So I use your ESM2 model to predict their structures. However, I generate only the contact matrices.

Could you guide me on how to generate the 3D structures in pdb or other format? Do you couple ESM2 to AlphFold to generate the structures?

tomsercu commented 1 year ago

ESMFold will be released relatively soon.