OpenFreeEnergy / OpenFreeEnergy/openfe
speed up openfe gather for large systems
Open
Nobody has claimed this yet.
cli
priority:high
usability
- Dominant language
- Python
- Stars
- 331
- Forks
- 56
- Avg merge
- 3d 9h
- Merged PRs (30d)
- 13
Description
gather tends to hang for large systems - adding a loading bar or, preferably, speeding it up would be nice.
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 names gather as the entry point but no files or tests. Locate its implementation and reproduce the hang with a large system, then inspect where time is spent. Done would require a clearly faster gather operation or a loading bar, but the issue does not define a performance target or preferred outcome.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- python
- Domain
- performance
- Issue type
- Bug
- Difficulty
- 4/5
- Estimated time
- 3-5 days
- Activity status
- Stale
- Clarity
- Needs clarification
- Newbie friendliness
- 30/100