{"slug":"mkurman-molecular-dynamics","source_name":"mkurman/molecular-dynamics","name":"Mkurman/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":4.55,"pass_rate_pct":63.6,"total_cases":22,"passed_cases":14,"tokens_delta_pct":43.3,"turns_delta_pct":0,"verdict":"mixed","benchmark_model":"gemini-3.6-flash","grading_method":"judged","completed_at":"2026-08-21T10:18:59.246832+00:00"},"skill_score":0.6364,"benchmark_models":[{"model":"gemini-3.6-flash","headline":true,"delta_pts":4.55,"with_pass_pct":63.6,"without_pass_pct":59.1,"tokens_delta_pct":43.3,"turns_delta_pct":0,"total_cases":22,"cases_aggregated":21,"verdict":"mixed","never_hurt":false,"completed_at":"2026-08-21T10:18:59.246832+00:00","run_id":"a2e5f042-d90d-4289-b056-8720df86125d","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":"b2e37d81e48920be449ed12d658e1663dd7ca830295b9e2fe6424f555a5bf246","raw_url":"https://app.decimal.ai/s/mkurman-molecular-dynamics/SKILL.md","scorecard_url":"https://app.decimal.ai/skills/mkurman-molecular-dynamics"}