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feat: accept --allow_resume for AlphaFold 3 - #72
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AlphaPulldown now resumes AlphaFold 3 folds as well (KosinskiLab/AlphaPulldown #655-#657): a rerun skips finished folds, and keeps the seeds an interrupted fold already wrote out. The flag defaults to True there, so batch reruns resume without the workflow passing it. It is still added for AlphaFold 2 batches only: AlphaFold 3 images up to 2.10.0 reject it. The AlphaFold 3 flag table accepts it, so --allow_resume: false (predict everything again) passes the parse-time check; config.yaml shows it. Docstrings, comments and two README statements that called the flag AlphaFold2-only are corrected in place, with no added README lines. Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
The flag tables are now generated (#73): AF3's --allow_resume comes from regenerating them from AlphaPulldown main (228c5eed), where AF3 accepts the flag, in place of the hand edit. The wording names the release that ships it, 2.11.0. Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
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Draft until an AlphaPulldown release contains KosinskiLab/AlphaPulldown#655, #656 and #657. Merge it together with the bump of the default images in
config/config.yamlto that release.Why
AlphaPulldown now resumes AlphaFold 3:
--num_seeds, it keeps the seeds an interrupted fold had already written out.--allow_resumedefaults to True there, so with the new images a crashed or timed-out batch, or anattempt 2retry, continues where it stopped instead of predicting everything again. The workflow does not need to pass anything for that.Change
_AF3_INFERENCE_FLAGS(and the pinned copy intest_inference_flag_tables.py) acceptallow_resume, so--allow_resume: falsepasses the parse-time check.config/config.yamlshows that opt-out in a comment.batch_inference_argsstill adds--allow_resumefor AlphaFold 2 batches only. AlphaFold 3 resumes by default, and its images up to 2.10.0 reject the flag.--allow_resumeAlphaFold2-only now use other AF2-only flags (--models_to_relax,--num_cycle).--allow_resumeas its AF2-only example.Tests
pytest test: 167 passed, 48 skipped; the one new test checks thatallow_resumeis valid on both backends.test_tables_match_alphapulldown_when_importable(skipped in CI, which doesn't install AlphaPulldown):allow_resume, as expected. That is why this waits for the release.🤖 Generated with Claude Code