OpenFreeEnergy / OpenFreeEnergy/openfe
cli: plan-md command
Open
Nobody has claimed this yet.
- Dominant language
- Python
- Stars
- 331
- Forks
- 56
- Avg merge
- 3d 9h
- Merged PRs (30d)
- 13
Description
add openfe plan-md-simulations workflow
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 locating the CLI entry points and any existing planning workflows related to simulations. The issue does not name files, tests, inputs, or expected output; confirm the intended behavior before implementing, and consider the work done when openfe plan-md-simulations is available with appropriate coverage.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- python
- Domain
- cli
- Issue type
- Feature
- Difficulty
- 4/5
- Estimated time
- 3-5 days
- Activity status
- Stale
- Clarity
- Needs clarification
- Newbie friendliness
- 35/100