OpenFreeEnergy / OpenFreeEnergy/openfe
Choose better name to define states in AFE results
Open
Nobody has claimed this yet.
- Dominant language
- Python
- Stars
- 331
- Forks
- 56
- Avg merge
- 3d 9h
- Merged PRs (30d)
- 13
Description
Follow up from #1775
We currently set the two states for the AFE results as bound and unbound, this makes sense for ABFEs, but not so much for AHFEs.
We should choose a better name for this.
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
Start by reading issue #1775 and locating where AFE results define the bound and unbound states. Compare how those names apply to ABFEs and AHFEs, then propose terminology that accurately covers both result types. Done means the state names have been agreed on and the relevant definitions and uses are updated consistently.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- python
- Domain
- backend
- Issue type
- Refactor
- Difficulty
- 5/5
- Estimated time
- Over a week
- Activity status
- Stale
- Clarity
- Needs clarification
- Newbie friendliness
- 25/100