OpenFreeEnergy / OpenFreeEnergy/ExampleNotebooks
Mention of OpenFF biopolymer FF is misleading
Open
Nobody has claimed this yet.
- Dominant language
- Jupyter Notebook
- Stars
- 70
- Forks
- 15
- Avg merge
- 10h 42m
- Merged PRs (30d)
- 2
Description
The mention of the OpenFF biopolymer FF is confusing in ApplyingProtocolToNetworkQuickrunDemo.ipynb, especially since we don't mention FF choices (this is actually a user report).
Contributor guide
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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
Open ApplyingProtocolToNetworkQuickrunDemo.ipynb and locate the mention of the OpenFF biopolymer force field. Read the surrounding user-report context to determine what is misleading, then verify the notebook no longer suggests that force-field choices are discussed in the demo.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- jupyter-notebook
- Domain
- documentation
- Issue type
- Documentation
- Difficulty
- 1/5
- Estimated time
- Under an hour
- Activity status
- Stale
- Clarity
- Mostly clear
- Newbie friendliness
- 55/100