OpenFreeEnergy / OpenFreeEnergy/openfe
Benchmark ABFE net charge support
Open
Nobody has claimed this yet.
- Dominant language
- Python
- Stars
- 331
- Forks
- 56
- Avg merge
- 3d 9h
- Merged PRs (30d)
- 13
Description
This issue has no description.
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.
Research direction
The issue provides no files, tests, entry points, or acceptance criteria. Start by locating the existing ABFE benchmark implementation and its handling of molecular net charge, then clarify which charged cases must be supported and how benchmark results should demonstrate completion.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- python
- Domain
- testing
- Issue type
- Feature
- Difficulty
- 4/5
- Estimated time
- 3-5 days
- Activity status
- Quiet
- Clarity
- Needs clarification
- Newbie friendliness
- 20/100