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fold-cp documentation and examples#366

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zyndagj:zyndagj/foldcp_support
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fold-cp documentation and examples#366
zyndagj wants to merge 3 commits into
Biohub:mainfrom
zyndagj:zyndagj/foldcp_support

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@zyndagj

@zyndagj zyndagj commented Jul 22, 2026

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Adds a BioNeMo Contessa cookbook for running ESMFold2 with single-GPU accelerated backends and context parallelism (Fold-CP).

This includes:

  • New single-GPU examples for:
    • PyTorch reference backend (esmfold2-none.py)
    • cuEquivariance backend (esmfold2-cueq.py)
    • Triton fused backend (esmfold2-fused.py)
  • New Fold-CP examples for:
    • CP setup on the same small 7ysz input (esmfold2-cp.py)
    • Larger 5xgo input that fits with CP (cuequivariance_cp.py)
    • Single-GPU OOM demonstration for 5xgo (will_fail.py)
  • Documentation for:
    • Single-GPU backend tradeoffs in single-gpu.md
    • wrap_model_with_cp usage, requirements, and behavior in fold-cp.md
    • Cookbook overview in README.md
  • Optional dependency extras in pyproject.toml:
    • esm[fused]
    • esm[cueq12]
    • esm[cueq13]
    • esm[fold-cp]

@zyndagj zyndagj changed the title Zyndagj/foldcp support fold-cp documentation and examples Jul 22, 2026
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