Skill All skills & plugins / Scientific Agent Skills (K-Dense)
molecular-dynamics
Runs and analyzes molecular dynamics simulations with OpenMM and MDAnalysis. Sets up protein/small molecule systems, defines force fields, runs energy minimization and production MD, and analyzes trajectories (RMSD, RMSF, contact maps, free energy surfaces). For structural biology, drug binding, and biophysics.
- Type
- Skill by Kuan-lin Huang
- Catalog
- Scientific Agent Skills (K-Dense)
- Source
- K-Dense-AI/scientific-agent-skills/skills/molecular-dynamics (3 files scanned)
- Install and details
- Agent Skills Index entry
- License
- MIT (SKILL.md frontmatter)
- Signals
- none found
Pre-approved tools
No allowed-tools or tools list in its SKILL.md, command or agent files, so the agent asks before using tools as usual.
Hooks
No hooks.
MCP servers and apps
None.
Bundled code
No code files, only instructions and other assets.
Credentials referenced
No key, token or secret environment variable found in code or MCP config.
Static scan of commit 5f2bc03 on 2026-10-27. Signals are patterns found in the files, not a verdict: a network call can be the whole point of a skill. Read the linked lines before you decide. How the scan works.