molecular-dynamics
molecular-dynamics is a Chemistry & materials skill for AI agents, published by K-Dense-AI in the claude-scientific-skills repository on GitHub. Skillspace rates molecular-dynamics C (72/100) and it passed the safety scan; a judge model has also reviewed it.
Run and analyze molecular dynamics simulations with OpenMM and MDAnalysis. Set up protein/small molecule systems, define force fields, run energy minimization and production MD, analyze trajectories (RMSD, RMSF, contact maps, free energy surfaces). For structural biology, drug binding, and biophysics.
- Grade
- C
- Quality
- 72 / 100
- Safety
- Passed
- GitHub stars
- 44,723
Placed #6 of 6 in the judged category final for Chemistry & materials.
This rating describes the version of the repository we crawled; it may have changed since, so go by its current files.
Our review
- Architecture
- 96 / 100
- Maturity
- Basic: a single SKILL.md
- Security scan
- No issues found
- License
- Not declared. Check the repository before reusing it.
Judge review
Placed #6 of 6 in the judged category final for Chemistry & materials.
- Trigger
90 90 - Instructions
92 92 - Specificity
93 93 - Safety
88 88 - Disclosure
55 55 - Maintenance
65 65
Deep, code-heavy OpenMM/MDAnalysis walkthrough that reads as one long inline script rather than a disclosure-managed skill.
Not checked yet
- Category is a classifier prediction; no model has read this skill yet
- No blind task eval yet
- Scope (portable / vendor / repo-internal) not assessed; only the top of each category is read for scope
- Sibling files (scripts, references) not fetched; security scan covers SKILL.md only
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