Cannot Run Structure Prediction – Missing Modules

[373375458]

❗Issue Summary

I want to use OpenFold for local protein structure prediction (no training), but none of the commits (including main and v2.1.0) seem to be fully functional. Specifically:

• run_pretrained_openfold.py fails due to missing module: attn_core_inplace_cuda
• scripts/predict_from_model.py is referenced in issues, but not present in the repo
• The provided Dockerfile does not build a working image
• There is no official guidance on which commit is usable for structure prediction only

📋 What I tried

• Cloned the repo with: git clone -b v.2.1.0 https://github.com/aqlaboratory/openfold.git
• Installed all dependencies including ml_collections, modelcif, triton, etc.
• Tried various commits including f434a2786b5a6b39171f358fb3470ad9f4fd2a58
• Tried to build Docker image from docker/Dockerfile

All result in either module import errors, or missing scripts.

❓ Questions

1. Is there a specific commit or tag where structure prediction works out-of-the-box?
2. How to properly install or compile attn_core_inplace_cuda? Is there documentation?
3. Can you provide a known working Dockerfile or a base image?

Thank you so much for this excellent project. We'd really love to get a working version running!

-- A user trying to use OpenFold for real-world structure prediction 🙏