molecular-dynamics
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).
Install / Use
npx skills add K-Dense-AI/scientific-agent-skills --skill molecular-dynamicsInstalls into whichever agent you are using.
SKILL.md
Installable skill definition
Quality Score
Category
Development & EngineeringSupported Platforms
Tags
Our assessment of molecular-dynamics
molecular-dynamics scores 89/100 on our quality scale, 241st of 1,629 Development & Engineering skills we index (top 15%).
We have not analysed the SKILL.md file itself yet, so the content part of this score is an estimate until our crawler reaches it.
With 46,441 GitHub stars, it is one of the more widely adopted skills in the catalogue.
Maintenance, license and trust
- The repository was last updated 3 days ago, so molecular-dynamics is actively maintained.
- It is released under the MIT license, a permissive license that allows use, modification and commercial use with attribution.
- Its trust signals score 100/100, with no cautions. These come from repository metadata, not a code audit — read the skill file before letting an agent act on it.
molecular-dynamics compared with similar skills
All 4 of these similar skills score higher than molecular-dynamics; compare them before choosing.
| Skill | Score | Stars | Updated | Format |
|---|---|---|---|---|
| molecular-dynamics (this skill)by K-Dense-AI | 89 | 46.4k | 3d ago | SKILL.md |
| ai-job-searchby MadsLorentzen | 100 | 43.9k | 3d ago | CLAUDE.md |
| claude-howtoby luongnv89 | 100 | 41.7k | 5d ago | CLAUDE.md |
| algorithmic-artby anthropics | 100 | 177.9k | 2d ago | SKILL.md |
| pptxby anthropics | 100 | 177.9k | 2d ago | SKILL.md |
Frequently asked questions
- How do I install molecular-dynamics?
- Run
npx skills add K-Dense-AI/scientific-agent-skills --skill molecular-dynamics. The install tabs above show the steps for each supported agent. - Which AI agents does molecular-dynamics work with?
- It is written for Universal, as a SKILL.md file. Other agents that read the same format can often use it too.
- Is molecular-dynamics safe to use?
- It is MIT-licensed and scores 100/100 on trust signals. Skills are instructions an agent will follow, so read the file before installing it and do not approve commands you do not understand.
- Is molecular-dynamics still maintained?
- The repository was last updated 3 days ago, so molecular-dynamics is actively maintained.
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Trust signals
From repository metadata: license, adoption, age and documentation. Not a code audit — see the Safety scan above for what the skill file itself contains.