OpenFreeEnergy / OpenFreeEnergy/openfe-benchmarks
In charge generation, add `explicit_hydrogens` flag
Open
Nobody has claimed this yet.
- Dominant language
- Python
- Stars
- 13
- Forks
- 2
- Avg merge
- 2d 19h
- Merged PRs (30d)
- 8
Description
This issue has no description.
Contributor guide
No contributing guide indexed for this repository
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 locating the charge-generation entry point and reading how related options are defined and passed through the project. Clarify the intended behavior and integration points for an explicit_hydrogens flag; done means the agreed behavior is implemented and verified by the relevant existing checks.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- python
- Domain
- backend
- Issue type
- Feature
- Difficulty
- 5/5
- Estimated time
- Over a week
- Activity status
- Quiet
- Clarity
- Needs clarification
- Newbie friendliness
- 25/100