mcpbeat

Alterlab Molecular Dynamics

alterlab-ieu/alterlab-molecular-dynamics

Runs and analyzes molecular dynamics simulations with OpenMM and MDAnalysis — setting up protein and small-molecule systems, assigning force fields, running energy minimization and production MD, and analyzing trajectories (RMSD, RMSF, contact maps, free energy surfaces). Use when simulating protein or ligand dynamics, equilibrating a system, or computing trajectory metrics for structural biology, drug binding, or biophysics. Part of the AlterLab Academic Skills suite.

7k tokens
context cost
the whole folder, loaded on every use
3
files
instructions only
0
copies elsewhere
how many repositories repackaged it
56
stars on the repo
on the repository, not the skill itself

Install

one command, takes just this skill from the repository 
npx skills add https://github.com/AlterLab-IEU/AlterLab-Academic-Skills --skill alterlab-molecular-dynamics

How to use it

Copy the folder

Take alterlab-ieu/alterlab-molecular-dynamics from the repository into ~/.claude/skills for personal use, or into .claude/skills inside a project.

Check the name does not clash

The agent identifies a skill by the name field in its header. Two skills with the same name cannot sit side by side — one of them will be ignored.

Install what it needs

The instructions reference pip, uv. Without those the skill loads but fails at the first command.