OpenFreeEnergy / OpenFreeEnergy/openfe
unpin rdkit for static type checking
Open
@atravitz is already working on this.
Since Jul 18, 2025.
- Dominant language
- Python
- Stars
- 331
- Forks
- 56
- Avg merge
- 3d 9h
- Merged PRs (30d)
- 13
Description
mypy build is currently pinned to 2023.09.5, as some changes were made to rdkit in 2024 that started breaking our type checking.
Contributor guide
First steps
- Read the whole issue, then the project's contributing guide.
- Comment on the issue to say you are picking it up — it saves two people doing the same work.
- Fork the repository and make your change on a branch.
- Open a pull request that references the issue number.
Assessment
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