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feat(config): Add optional 'description' field to Chain input (#57)#64

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jnwei merged 4 commits intoaqlaboratory:mainfrom
chodec:feature/json-description-57
Dec 3, 2025
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feat(config): Add optional 'description' field to Chain input (#57)#64
jnwei merged 4 commits intoaqlaboratory:mainfrom
chodec:feature/json-description-57

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@chodec
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@chodec chodec commented Dec 1, 2025

Summary
Adds the optional description: str | None field to the Chain model for input JSON queries (query format).

Changes
Added the optional description parameter to the Chain class in openfold3/projects/of3_all_atom/config/inference_query_format.py.
Per the discussion in the Issue, this field is intended solely for input organization and is not propagated to output files.

Related Issues
Closes #57

Testing

  • Automated Tests: Automated tests could not be run due to DeepSpeed/CUDA import errors in the local environment.
  • Manual Verification: Manual verification of the Pydantic model syntax confirmed that the model successfully accepts JSON input including the new field without raising a validation error.

Other Notes
Thank you for the opportunity to contribute!

jnwei
jnwei requested changes Dec 2, 2025
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@chodec, Thank you for making this PR, much appreciated.

The changes look good. Do you mind also adding the new description field to the documentation here?

Something to the effect of

  - `description` *(str | None, optional)*
    - Optional metadata to provide for each chain

@chodec
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chodec commented Dec 2, 2025

Hey @jnwei, thanks.
Yea, I'll add it right after I come back from work.

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chodec commented Dec 2, 2025

@jnwei next time I'll be aware of updating also docs.
Looking forward to seeing this merged.

@jnwei jnwei added the safe-to-test Internal only label used to indicate PRs that are ready for automated CI testing. label Dec 3, 2025
@jnwei jnwei self-requested a review December 3, 2025 09:28
jnwei
jnwei approved these changes Dec 3, 2025
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Thank you for adding this feature @chodec !

@jnwei jnwei merged commit 9a3c967 into aqlaboratory:main Dec 3, 2025
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@lucajovine
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lucajovine commented Dec 3, 2025

Thanks a lot from me too @chodec and @jnwei!

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chodec commented Dec 3, 2025

@lucajovine @jnwei no worries, if you have any similar issues to solve feel free to message me.
thanks

@chodec chodec deleted the feature/json-description-57 branch December 3, 2025 10:24
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lucajovine commented Dec 3, 2025

Well, since you ask — I'd love to see suggestion #58 implemented :-)

jnwei pushed a commit that referenced this pull request Mar 13, 2026
@jandom
docs: fetching the image from GHCR (#64)
9a99767
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Add description field to input JSON

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@chodec @lucajovine @jnwei