From 86091dd8d4347b6168eb5bbe4cebaec0e8402631 Mon Sep 17 00:00:00 2001 From: Jeffrey Wagner Date: Wed, 14 Oct 2026 17:09:55 -0700 Subject: [PATCH 1/7] add ai policy, update PR template --- .github/pull_request_template.md | 5 ++++- AI_POLICY.md | 27 +++++++++++++++++++++++++++ 2 files changed, 31 insertions(+), 1 deletion(-) create mode 100644 AI_POLICY.md diff --git a/.github/pull_request_template.md b/.github/pull_request_template.md index 03c0b8a6c..b7c1c4489 100644 --- a/.github/pull_request_template.md +++ b/.github/pull_request_template.md @@ -1,5 +1,8 @@ - [ ] Tag issue being addressed - [ ] Add [tests](https://github.com/openforcefield/openff-toolkit/tree/main/openff/toolkit/_tests) - [ ] Update docstrings/[documentation](https://github.com/openforcefield/openff-toolkit/tree/main/docs), if applicable -- [ ] [Lint](https://docs.openforcefield.org/projects/toolkit/en/stable/users/developing.html#style-guide) codebase - [ ] Update [changelog](https://github.com/openforcefield/openff-toolkit/blob/main/docs/releasehistory.md) + +LLMs or other AI-powered tools (beyond simple IDE use cases) were used in this contribution: +- [ ] No +- [ ] Yes: [If yes, please provide details here] \ No newline at end of file diff --git a/AI_POLICY.md b/AI_POLICY.md new file mode 100644 index 000000000..85df527b9 --- /dev/null +++ b/AI_POLICY.md @@ -0,0 +1,27 @@ + +## OpenFF Ecosystem Policies + +The Open Force Field Initiative reserves the right to reject contributions if we judge that they do not follow the spirit of these principles. +The following policies hold for all repositories in the OpenFF ecosystem: + +1. Repository Maintainers always reserve the right to make exceptions to any of the following rules on a case-by-case basis. +2. LLMs use must be always disclosed. At minimum in the PR description, but preferably reflected in the “Authors” of the commit. +3. LLMs may be used for translation (disclosing LLM use is important here, so that maintainers can be more considerate when encountering translation inaccuracies). +5. All content must have a human identified as being accountable for the contribution. The human takes responsibility for the contribution and stands by its correctness. No agent-only commits. +6. Code authors must retain full authorship for any contributed code and contributions must be covered by the [MIT license](https://github.com/openforcefield/openff-toolkit/blob/main/LICENSE), and [Developer Certificate of Origin](https://developercertificate.org/). + +## Policies specific to this repository + +The following policies are specific only to this repository, and decided by the repository's maintainer(s). + +In this repository, it is either acceptable (✅) or not acceptable (❌) to us LLMs for: + +- ✅️ Generating content that only the author sees, but affects their work (searching repositories, asking questions, finding bugs, self-review, linting). +- ✅️ Generating code that is shared, but not committed to the code base (e.g. Minimally Reproducible Examples in issue text). +- Generating content which the human author has: + +| | Code | Docs | PRs & Issues | Replies to humans | +|--------------------------------------------------------------|:----:|:----:|:------------:|:-----------------:| +| Read thoroughly and understands every line before submission | ✅️ | ✅️ | ✅️ | ❌ | +| Checked for obvious issues before submission | ❌ | ❌ | ❌ | ❌ | +| Not reviewed before submission | ❌ | ❌ | ❌ | ❌ | From 8431626ef4559c8e8ccbe09e7f6d03fadcaecedc Mon Sep 17 00:00:00 2001 From: "pre-commit-ci[bot]" <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Thu, 15 Oct 2026 00:11:57 +0000 Subject: [PATCH 2/7] [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci --- openff/toolkit/topology/molecule.py | 9 ++++++++- 1 file changed, 8 insertions(+), 1 deletion(-) diff --git a/openff/toolkit/topology/molecule.py b/openff/toolkit/topology/molecule.py index d50301b83..862fbf30f 100644 --- a/openff/toolkit/topology/molecule.py +++ b/openff/toolkit/topology/molecule.py @@ -1170,7 +1170,14 @@ def to_dict(self) -> dict: # https://mypy.readthedocs.io/en/latest/typed_dict.html#typeddict molecule_dict: dict[ str, - str | bytes | dict[str, Any] | list[str] | list[bytes] | list[HierarchyElement] | list[dict[str, Any]] | None, + str + | bytes + | dict[str, Any] + | list[str] + | list[bytes] + | list[HierarchyElement] + | list[dict[str, Any]] + | None, ] = dict() molecule_dict["name"] = self._name From d87925ee7e313099888d1bd3f6476a2b26ff4bd2 Mon Sep 17 00:00:00 2001 From: Jeffrey Wagner Date: Wed, 14 Oct 2026 17:58:01 -0700 Subject: [PATCH 3/7] small fixes --- .github/pull_request_template.md | 6 ++++-- AI_POLICY.md | 8 ++++---- 2 files changed, 8 insertions(+), 6 deletions(-) diff --git a/.github/pull_request_template.md b/.github/pull_request_template.md index b7c1c4489..7af139f54 100644 --- a/.github/pull_request_template.md +++ b/.github/pull_request_template.md @@ -1,8 +1,10 @@ - [ ] Tag issue being addressed - [ ] Add [tests](https://github.com/openforcefield/openff-toolkit/tree/main/openff/toolkit/_tests) - [ ] Update docstrings/[documentation](https://github.com/openforcefield/openff-toolkit/tree/main/docs), if applicable +- [ ] [Lint](https://docs.openforcefield.org/projects/toolkit/en/stable/users/developing.html#style-guide) codebase - [ ] Update [changelog](https://github.com/openforcefield/openff-toolkit/blob/main/docs/releasehistory.md) -LLMs or other AI-powered tools (beyond simple IDE use cases) were used in this contribution: +See our [AI Policy](https://github.com/openforcefield/openff-toolkit/blob/main/AI_POLICY.md). Please indicate whether LLMs or other AI-powered tools (beyond simple IDE use cases) were used in this contribution: - [ ] No -- [ ] Yes: [If yes, please provide details here] \ No newline at end of file +- [ ] Yes: [If yes, please provide details here] +- \ No newline at end of file diff --git a/AI_POLICY.md b/AI_POLICY.md index 85df527b9..8a13d18dd 100644 --- a/AI_POLICY.md +++ b/AI_POLICY.md @@ -5,16 +5,16 @@ The Open Force Field Initiative reserves the right to reject contributions if we The following policies hold for all repositories in the OpenFF ecosystem: 1. Repository Maintainers always reserve the right to make exceptions to any of the following rules on a case-by-case basis. -2. LLMs use must be always disclosed. At minimum in the PR description, but preferably reflected in the “Authors” of the commit. +2. LLMs use must be always disclosed. At minimum in the PR description, but preferably reflected in a “Co-Authored-By” line in the commit. 3. LLMs may be used for translation (disclosing LLM use is important here, so that maintainers can be more considerate when encountering translation inaccuracies). -5. All content must have a human identified as being accountable for the contribution. The human takes responsibility for the contribution and stands by its correctness. No agent-only commits. -6. Code authors must retain full authorship for any contributed code and contributions must be covered by the [MIT license](https://github.com/openforcefield/openff-toolkit/blob/main/LICENSE), and [Developer Certificate of Origin](https://developercertificate.org/). +4. All content must have a human identified as being accountable for the contribution. The human takes responsibility for the contribution and stands by its correctness. No agent-only commits. +5. Code authors must retain full authorship for any contributed code and contributions must be covered by the [MIT license](https://github.com/openforcefield/openff-toolkit/blob/main/LICENSE), and [Developer Certificate of Origin](https://developercertificate.org/). ## Policies specific to this repository The following policies are specific only to this repository, and decided by the repository's maintainer(s). -In this repository, it is either acceptable (✅) or not acceptable (❌) to us LLMs for: +In this repository, it is either acceptable (✅) or not acceptable (❌) to use LLMs for: - ✅️ Generating content that only the author sees, but affects their work (searching repositories, asking questions, finding bugs, self-review, linting). - ✅️ Generating code that is shared, but not committed to the code base (e.g. Minimally Reproducible Examples in issue text). From 8e0ce46f5d61b488a5fc461e2e08db6c790c88e3 Mon Sep 17 00:00:00 2001 From: Jeffrey Wagner Date: Wed, 14 Oct 2026 18:05:16 -0700 Subject: [PATCH 4/7] typo fix --- .github/pull_request_template.md | 1 - 1 file changed, 1 deletion(-) diff --git a/.github/pull_request_template.md b/.github/pull_request_template.md index 7af139f54..a62f8763f 100644 --- a/.github/pull_request_template.md +++ b/.github/pull_request_template.md @@ -7,4 +7,3 @@ See our [AI Policy](https://github.com/openforcefield/openff-toolkit/blob/main/AI_POLICY.md). Please indicate whether LLMs or other AI-powered tools (beyond simple IDE use cases) were used in this contribution: - [ ] No - [ ] Yes: [If yes, please provide details here] -- \ No newline at end of file From 49d8a7fec9fdbf9ca849743b4059d248684a0af6 Mon Sep 17 00:00:00 2001 From: Jeffrey Wagner Date: Wed, 14 Oct 2026 18:07:23 -0700 Subject: [PATCH 5/7] clarification --- AI_POLICY.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/AI_POLICY.md b/AI_POLICY.md index 8a13d18dd..635828b38 100644 --- a/AI_POLICY.md +++ b/AI_POLICY.md @@ -6,7 +6,7 @@ The following policies hold for all repositories in the OpenFF ecosystem: 1. Repository Maintainers always reserve the right to make exceptions to any of the following rules on a case-by-case basis. 2. LLMs use must be always disclosed. At minimum in the PR description, but preferably reflected in a “Co-Authored-By” line in the commit. -3. LLMs may be used for translation (disclosing LLM use is important here, so that maintainers can be more considerate when encountering translation inaccuracies). +3. LLMs may always be used for translation (disclosing LLM use is important here, so that maintainers can be more considerate when encountering translation inaccuracies). 4. All content must have a human identified as being accountable for the contribution. The human takes responsibility for the contribution and stands by its correctness. No agent-only commits. 5. Code authors must retain full authorship for any contributed code and contributions must be covered by the [MIT license](https://github.com/openforcefield/openff-toolkit/blob/main/LICENSE), and [Developer Certificate of Origin](https://developercertificate.org/). From 9f3672d26ea1ffde4bfdd772fe96e623cf557f24 Mon Sep 17 00:00:00 2001 From: Jeffrey Wagner Date: Wed, 14 Oct 2026 18:13:31 -0700 Subject: [PATCH 6/7] Small fixes --- AI_POLICY.md | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/AI_POLICY.md b/AI_POLICY.md index 635828b38..b898d9843 100644 --- a/AI_POLICY.md +++ b/AI_POLICY.md @@ -1,3 +1,4 @@ +# AI Policy ## OpenFF Ecosystem Policies @@ -7,7 +8,7 @@ The following policies hold for all repositories in the OpenFF ecosystem: 1. Repository Maintainers always reserve the right to make exceptions to any of the following rules on a case-by-case basis. 2. LLMs use must be always disclosed. At minimum in the PR description, but preferably reflected in a “Co-Authored-By” line in the commit. 3. LLMs may always be used for translation (disclosing LLM use is important here, so that maintainers can be more considerate when encountering translation inaccuracies). -4. All content must have a human identified as being accountable for the contribution. The human takes responsibility for the contribution and stands by its correctness. No agent-only commits. +4. All content must have a human identified as being accountable for the contribution. The human takes responsibility for the contribution and stands by its correctness. No agent-only commits. 5. Code authors must retain full authorship for any contributed code and contributions must be covered by the [MIT license](https://github.com/openforcefield/openff-toolkit/blob/main/LICENSE), and [Developer Certificate of Origin](https://developercertificate.org/). ## Policies specific to this repository From af907652cb2e0e44c8957c0a3ab8431899dcb05c Mon Sep 17 00:00:00 2001 From: Jeff Wagner Date: Fri, 16 Oct 2026 13:49:34 -0700 Subject: [PATCH 7/7] update releasenotes --- docs/releasehistory.md | 3 +++ 1 file changed, 3 insertions(+) diff --git a/docs/releasehistory.md b/docs/releasehistory.md index 2bd396cc9..1ef4d104d 100644 --- a/docs/releasehistory.md +++ b/docs/releasehistory.md @@ -25,6 +25,9 @@ Releases follow the `major.minor.micro` scheme recommended by [PEP440](https://w ### Improved documentation and warnings +- [PR #2248](https://github.com/openforcefield/openff-toolkit/pull/2248): Add initial AI policy. + + ## 0.19.0 ### Behavior changes