{"slug":"k-dense-ai-molecular-dynamics","source_name":"k-dense-ai/molecular-dynamics","name":"K Dense AI/Molecular Dynamics","description":"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.","version":1,"lift":{"pass_rate_delta_pts":20.83,"pass_rate_pct":87.5,"total_cases":24,"passed_cases":21,"tokens_delta_pct":167.1,"turns_delta_pct":0,"verdict":"mixed","benchmark_model":"gemini-3.6-flash","grading_method":"judged","completed_at":"2026-08-09T07:14:07.195429+00:00"},"skill_score":null,"benchmark_models":[{"model":"gemini-3.6-flash","headline":true,"delta_pts":20.83,"with_pass_pct":87.5,"without_pass_pct":66.7,"tokens_delta_pct":167.1,"turns_delta_pct":0,"total_cases":24,"cases_aggregated":23,"verdict":"mixed","never_hurt":true,"completed_at":"2026-08-09T07:14:07.195429+00:00","run_id":"d6a49ed3-48be-4ef9-b8a7-692bfc977b6b","version_number":1,"is_latest_version":true,"gate":null}],"trust":{"skill_safety":"passed","safety_status":"clean","intent_verdict":"safe","content_status":"clean","indexable":true},"license":"MIT","install_count":0,"manifest_hash":"3cdc1cf48efe49273f24b0d10a81fe233d61cd3c8e54786893fd8366178775ed","raw_url":"https://app.decimal.ai/s/k-dense-ai-molecular-dynamics/SKILL.md","scorecard_url":"https://app.decimal.ai/skills/k-dense-ai-molecular-dynamics"}