OpenFreeEnergy / OpenFreeEnergy/ExampleNotebooks
Notebook for RHFEs
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1.0docdrive
enhancement
- Dominant language
- Jupyter Notebook
- Stars
- 70
- Forks
- 15
- Avg merge
- 10h 42m
- Merged PRs (30d)
- 2
Description
We need a notebook where we show how to make RHFEs - particularly defining two separate Protocols for each leg of the transformation.
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
Review the existing example notebooks in this repository to find the appropriate structure and conventions for a new RHFE example. Create a notebook demonstrating how to make RHFEs, including separate Protocols for each leg of the transformation; done means the example is complete and follows the repository's notebook style.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- jupyter-notebook
- Domain
- documentation
- Issue type
- Feature
- Difficulty
- 3/5
- Estimated time
- 1-2 days
- Activity status
- Stale
- Clarity
- Mostly clear
- Newbie friendliness
- 45/100