OpenFreeEnergy / OpenFreeEnergy/openfe
Migrate maestro prep information
Nobody has claimed this yet.
- Dominant language
- Python
- Stars
- 331
- Forks
- 56
- Avg merge
- 3d 9h
- Merged PRs (30d)
- 13
Description
We have a bullet point list of things to do to prepare a system for OpenFE using Maestro: https://industrybenchmarks2024.readthedocs.io/en/latest/public/input_preparation.html#input-preparation-using-maestro
This is really useful, we should migrate it from the industry benchmarks repo to our userguide here.
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 the linked industry benchmarks page, especially the “Input preparation using Maestro” section, then locate the corresponding user guide location in this repository. Migrate the useful bullet-point preparation information into the user guide and verify that the resulting documentation renders correctly and preserves the relevant guidance.
Written by the indexing model from the issue text.
Assessment
- Domain
- documentation
- Issue type
- Documentation
- Difficulty
- 2/5
- Estimated time
- 1-3 hours
- Activity status
- Stale
- Clarity
- Mostly clear
- Newbie friendliness
- 65/100