7 tagged molecular-dynamics, measured the same way as everything else here.
xjtulyc/awesome-rosetta-skills
Skill Claude CodeCodex
Atomic Simulation Environment (ASE) for atomistic simulations: structure building, geometry optimization, NEB, molecular dynamics, and trajectory analysis.
chatmaterials/lammps-workflows
Skill Codex
Use when the task involves LAMMPS atomistic simulation workflows, including input script creation, minimize, NVT, NPT, and restart setups, force-field and data-file checks, log.lammps review, restart handling, and scheduler scripts.
Skill Codex
Use when working on classical biomolecular molecular dynamics with GROMACS: system setup, pdb2gmx/topology preparation, ligand parameterization, solvation and ions, energy minimization, NVT/NPT equilibration, production MD, trajectory analysis, MM/PBSA-style post-processing, .mdp parameter review, GROMACS command…
At most 3 mods per repository are shown here, and a mod shipped inside a plugin is left to that plugin's page — the rest are on their repository pages: