OpenFreeEnergy / OpenFreeEnergy/ExampleNotebooks
Showcase: Document atom mapping scoring metrics
Open
Nobody has claimed this yet.
- Dominant language
- Jupyter Notebook
- Stars
- 70
- Forks
- 15
- Avg merge
- 10h 42m
- Merged PRs (30d)
- 2
Description
Can show off different mapping scoring options. Could compare default lomap to karto's RMSD option
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 in the repository's example notebooks and review how the default lomap and karto's RMSD option can be demonstrated. Add a notebook comparison of the available mapping scoring options, with enough output to show how the results differ.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- jupyter-notebook
- Domain
- content, documentation
- Issue type
- Documentation
- Difficulty
- 3/5
- Estimated time
- 1-2 days
- Activity status
- Stale
- Clarity
- Mostly clear
- Newbie friendliness
- 35/100