Skip to content

[codex] Update AlphaFold3 submodule to v3.0.3#625

Merged
DimaMolod merged 3 commits into
mainfrom
codex/update-af3-v3.0.3
Jun 15, 2026
Merged

[codex] Update AlphaFold3 submodule to v3.0.3#625
DimaMolod merged 3 commits into
mainfrom
codex/update-af3-v3.0.3

Conversation

@DimaMolod

@DimaMolod DimaMolod commented Jun 15, 2026

Copy link
Copy Markdown
Collaborator

Summary

  • Update the alphafold3 submodule to the merged KosinskiLab/alphafold3 fork main at 86b9ea3, based on official AlphaFold 3 v3.0.3.
  • Keep AlphaPulldown's fork-only gapped/discontinuous residue ID support on top of official AF3 v3.0.3.
  • Update the alphafold submodule to 5bf5b9f for the NumPy 2 chain-feature merge fix exposed by the AP unit suite.
  • Fix the AP smoke-test regression in mmseqs_species_identifiers by resolving the monkeypatchable species resolver dynamically instead of capturing it as a default argument.
  • Set the AF3 container build version override so copied-tree builds report/install alphafold3==3.0.3 rather than the upstream 3.0.2 fallback.

Upstream Context

Official google-deepmind/alphafold3 released v3.0.3 on 2026-06-09 at 7b197fe859790fc3e04d03ea70dd0b9ba48881c9.

Release notes: https://github.com/google-deepmind/alphafold3/releases/tag/v3.0.3

The AF3 runtime dependency stack remains the Tokamax/JAX 0.9 stack from the RTX/Blackwell-compatible update:

  • jax==0.9.1
  • tokamax==0.0.11

The merged fork main contains the earlier RTX/Blackwell compatibility ancestry:

  • 3890782: Tokamax attention/SwiGLU migration.
  • 608edb6: Tokamax 0.0.11 and JAX 0.9.1 update.

Validation

  • git -C alphafold3 merge-base --is-ancestor 7b197fe859790fc3e04d03ea70dd0b9ba48881c9 HEAD -> yes.
  • git -C alphafold3 merge-base --is-ancestor 389078218c0604cf85caf4e2e9a830e456ff31d1 HEAD -> yes.
  • git -C alphafold3 merge-base --is-ancestor 608edb684db9f6fd0e677fea01c4cefc60f8a8aa HEAD -> yes.
  • OPENBLAS_NUM_THREADS=1 OMP_NUM_THREADS=1 MKL_NUM_THREADS=1 NUMEXPR_NUM_THREADS=1 pytest -n auto --dist loadfile test/unit -> 309 passed, 2 skipped.
  • OPENBLAS_NUM_THREADS=1 OMP_NUM_THREADS=1 MKL_NUM_THREADS=1 NUMEXPR_NUM_THREADS=1 pytest test/integration -> 76 passed, 1 skipped.
  • Focused final rerun on the merged submodule SHAs:
    pytest test/unit/test_mmseqs_species_identifiers.py::test_make_msa_features_resolves_mmseqs_species_identifiers test/unit/test_objects.py::test_multimeric_object_pairs_full_then_chopped_with_correct_features test/unit/test_alphafold3_backend_helpers.py -q -> 32 passed.
  • GitHub CI for this PR: smoke-tests 3.10, smoke-tests 3.11, coverage, build-alphafold2-container, and build-alphafold3-container -> passed.
  • Local SIF build and RTX PRO 6000 Slurm smoke are in progress; this draft will be marked ready after that GPU check passes.

@DimaMolod DimaMolod marked this pull request as ready for review June 15, 2026 12:35
@DimaMolod DimaMolod merged commit 855fc0b into main Jun 15, 2026
6 checks passed
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

None yet

Projects

None yet

Development

Successfully merging this pull request may close these issues.

1 participant