OpenFreeEnergy / OpenFreeEnergy/openfe
Structural analysis for ABFEs
Open
Nobody has claimed this yet.
- Dominant language
- Python
- Stars
- 331
- Forks
- 56
- Avg merge
- 3d 9h
- Merged PRs (30d)
- 13
Description
Add structural analysis for ABFEs.
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 does not name files, tests, entry points, inputs, or expected outputs. Start by locating the existing ABFE data and analysis components, then clarify which structural analysis is required and how results should be represented. Done should include a defined scope, implementation location, and tests for the agreed behavior.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- python
- Domain
- data
- Issue type
- Feature
- Difficulty
- 5/5
- Estimated time
- Over a week
- Activity status
- Active
- Clarity
- Needs clarification
- Newbie friendliness
- 25/100