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@IAlibay IAlibay commented Jan 18, 2026

A policy for AI generated tools.

LLM / AI generated code disclosure

A likely-LLM powered tool in google docs was used for spell checking and pointing out gramatical issues.

PR Checklist

  • [-] Issue raised/referenced?
  • [-] Tests updated/added?
  • Documentation updated/added?
  • [-] package/CHANGELOG file updated?
  • Is your name in package/AUTHORS? (If it is not, add it!)
  • LLM/AI disclosure was updated.

Developers Certificate of Origin

I certify that I can submit this code contribution as described in the Developer Certificate of Origin, under the MDAnalysis LICENSE.


📚 Documentation preview 📚: https://mdanalysis--5210.org.readthedocs.build/en/5210/

Adds a markdown document that defines MDAnalysis' current stance on AI tools for contributions.
@IAlibay IAlibay requested a review from a team January 18, 2026 21:30
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codecov bot commented Jan 18, 2026

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 92.71%. Comparing base (4c12f15) to head (aa74113).

Additional details and impacted files
@@             Coverage Diff             @@
##           develop    #5210      +/-   ##
===========================================
- Coverage    92.72%   92.71%   -0.02%     
===========================================
  Files          180      180              
  Lines        22475    22475              
  Branches      3190     3190              
===========================================
- Hits         20841    20838       -3     
- Misses        1177     1179       +2     
- Partials       457      458       +1     

☔ View full report in Codecov by Sentry.
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@RMeli RMeli left a comment

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Thanks @IAlibay for getting this started!

First pass. I'll post comments about content in the coming days.

Co-authored-by: Rocco Meli <r.meli@bluemail.ch>
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@orbeckst orbeckst left a comment

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I'd like to also state that we're open to discussions and expect the policy to be periodically reviewed.

I also have one smaller edit.

Thank you very much for drafting @IAlibay !

AI assitance is deemed acceptable. However, if code generate exceeds minimal, sporadic amounts (e.g. repeated or large multi-line blocks),
it would be considered fully AI-generated and, as defined in section #1, is not acceptable.

As per section #0, where possible please state that you are using AI assistance via an IDE.
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Remove "where possible" as this puts the burden on us. Instead, it should be a contributors responsibility to know when they are using AI features.

Suggested change
As per section #0, where possible please state that you are using AI assistance via an IDE.
As per section #0, please state when you are using AI assistance via an IDE.

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With IDEs, my main worry is that it's just easy to forget - like I'm a vim guy, but sometimes I use vscode and then the auto complete happens but I forget about it.


### 6. Consequences for failure to comply to this policy

Any failures to comply with this policy should be reported to the MDAnalysis core developers.
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Do we need to link to contact information?

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Yeah the whole thing needs links, and then itself being linked in other locations. I'm hoping that to be a task once we've agreed on the text.

- Code submitted for inclusion in MDAnalysis
- Documentation of any kind
- Communication content (e.g. issues, discussions, pull request descriptions, and reviews)

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I'd add something like the following as a preamble:

Suggested change
We recognize that the use of AI in open source software raises many difficult questions and acknowledge that views, approaches, and technical capabilities are rapidly changing.
We invite comments and further discussion (via our [discussion channels](https://www.mdanalysis.org/pages/community/)) and expect to periodically review this policy.

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I had the same thought yesterday. We should make clear that the policy will evolve over time, as we learn and the landscape changes.

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Do we want to date or version this policy?

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I think that's a great idea. I agree with your point that this should be updated over time.

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@tylerjereddy tylerjereddy left a comment

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FWIW, the sklearn PR template currently has this:

AI usage disclosure

I used AI assistance for:

  • Code generation (e.g., when writing an implementation or fixing a bug)
  • Test/benchmark generation
  • Documentation (including examples)
  • Research and understanding


### 1. Fully generated code is not allowed

Fully AI-generated contributions, such as content generated by prompting a large language model (e.g. claude code or chatgpt) are not permitted in MDAnalysis.
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I'd mention agents explicitly here as well. Additionally, it might be useful to add a short line on why for now they are not allowed to(i.e. concerns about licensing etc.).

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I'm afraid I'm rather uneducated when it comes to agents etc... do you have some suggested wording for this?

@BradyAJohnston
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FWIW, the sklearn PR template currently has this:

I really like this approach. It gives people more of a chance to acknowledge usage of AI in different aspects where they might initially say "no AI" for a single response. Potentially saves us some time in review.

@IAlibay
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IAlibay commented Jan 19, 2026

P.S. I'm going to merge in grammatical corrections, but not content just yet - that way everyone gets a chance to comment on the same thing.

Correcting some typos found during review.
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6 participants