molecular-dynamics

Maintained by k-dense-ai

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.

Current version: Unknown
License: MIT
Network access: Unknown / not assessed
Review status: Not verified

Problem it solves

This catalog entry helps users find and evaluate molecular-dynamics for the task described by its available catalog summary. Confirm the exact scope in the linked original source when one is available.

When to use it

Consider molecular-dynamics when its available catalog summary matches the task at hand. When available, review the linked original source before use for precise instructions, requirements, and limitations.

molecular-dynamics is listed as an agent skill in RefHub. The listed maintainer is k-dense-ai. The available catalog summary is: 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. When available, review the linked original source for exact usage instructions, required tools, and limitations.

Installation and updates

These commands are displayed for copying only and are never executed on RefHub servers. Review the linked upstream source before running them.

Install command

npx skills add k-dense-ai/scientific-agent-skills --skill molecular-dynamics -y

Agent compatibility

No compatibility test has been recorded

Do not assume agent compatibility until documented test evidence is available.