OpenFreeEnergy / OpenFreeEnergy/openfe_analysis
Correlation coefficient between dynamic and thermodyamic properties
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- Dominant language
- Python
- Stars
- 20
- Forks
- 2
- PR merge metrics
- No merged PRs in 30d
Description
Type
Question
Does binding site have an impact on the dG
Publications
Zhang et al
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
No file or test is named. Start by reviewing the repository’s Python and MDAnalysis analysis entry points alongside the cited Zhang et al. publication, then clarify which dynamic and thermodynamic quantities, binding-site comparison, and output are required; done should be a documented, reproducible correlation analysis with an agreed interpretation.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- python
- Domain
- data
- Issue type
- Feature
- Difficulty
- 5/5
- Estimated time
- Over a week
- Activity status
- Stale
- Clarity
- Needs clarification
- Newbie friendliness
- 25/100