OpenFreeEnergy / OpenFreeEnergy/openfe
Adaptive settings
Open
Nobody has claimed this yet.
- Dominant language
- Python
- Stars
- 332
- Forks
- 56
- Avg merge
- 3d 9h
- Merged PRs (30d)
- 13
Description
Some transformations require non-standard settings like charge changes we need the CLI to automatically apply this to a network and a way to define the dynamical settings via a yaml settings file.
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
No files, tests, or entry points are identified. Start by locating the CLI transformation workflow and its existing settings handling, then review how YAML configuration is supported. Done means the CLI can apply non-standard settings, including charge changes, to a network and accept dynamical settings from a YAML file.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- python, yaml
- Domain
- cli
- Issue type
- Feature
- Difficulty
- 5/5
- Estimated time
- Over a week
- Activity status
- Stale
- Clarity
- Needs clarification
- Newbie friendliness
- 25/100