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). For structural biology, drug binding, and biophysics.

Source

Creator's repository · k-dense-ai/scientific-agent-skills

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License: MIT

Security

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What this skill can do
Reads your filesConnects to the internetRuns code on your machine
Checked by 3 independent security firms
Does it try to trick the AI?Not yet checkedPending · Gen Agent Trust Hub
Does it sneak in hidden code?Not yet checkedPending · Socket
Does it have known bugs?Not yet checkedPending · Snyk