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feat: accept --fast_kernels for the AlphaFold 3 backend - #59

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DimaMolod merged 2 commits into
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exp/af3-fused-triangle
Oct 7, 2026
Merged

DimaMolod merged 2 commits into
mainfrom
exp/af3-fused-triangle

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@DimaMolod

@DimaMolod DimaMolod commented Oct 7, 2026 •

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Summary

Accept AlphaPulldown's --fast_kernels flag for the AlphaFold 3 backend too (KosinskiLab/AlphaPulldown#646). AlphaFold 2 already accepts it (#58).

  • Flag table: fast_kernels joins the AF3 inference flags in workflow/rules/common.smk. AlphaLink still rejects it, and the comment says so.
  • README: the AF2 entry is unchanged. The AlphaFold3 flags block gains --fast_kernels: "off" with the same quoting note.
  • Tests: the flag-table test now covers both backends.

The released AlphaFold 3 images (≤ 2.9.1) reject --fast_kernels. The next release bumps the default container tags in config/config.yaml; a follow-up test PR adds a check that fails until it does.

Validation

  • Full suite (Python 3.12, Snakemake 9.13): 160 passed, including the DAG dry-runs.

🤖 Generated with Claude Code

DimaMolod and others added 2 commits October 6, 2026 15:09
Restore the AF2 README entry's explanation (quoted values, ~2x on
compute capability 8.0+), add the AF3 entry, correct the common.smk
comment that still called the flag AlphaFold2-only, and align the flag
test's name and AlphaLink case with its neighbours.

Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
@DimaMolod
DimaMolod merged commit bf0c22b into main Oct 7, 2026
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