OpenFreeEnergy / OpenFreeEnergy/ExampleNotebooks
Rename openmm-rbfe to just relative_free_energy
Open
Nobody has claimed this yet.
- Dominant language
- Jupyter Notebook
- Stars
- 70
- Forks
- 15
- Avg merge
- 10h 42m
- Merged PRs (30d)
- 2
Description
Then have sub-directotries for each thing you're looking at:
- relative_free_energy
- openmm_hybrid_showcase
- notebook
- quickrun
- notebook
- blah
- foo
- openmm_hybrid_showcase
That way users cleanly know where to look for things.
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 inspecting the existing openmm-rbfe directory and its notebooks. Reorganize it under relative_free_energy with subdirectories such as openmm_hybrid_showcase and quickrun, preserving the notebook contents. Done means the requested hierarchy exists and users can find each example in the appropriate directory.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- jupyter-notebook
- Domain
- documentation
- Issue type
- Refactor
- Difficulty
- 2/5
- Estimated time
- 1-3 hours
- Activity status
- Stale
- Clarity
- Mostly clear
- Newbie friendliness
- 35/100