{"slug":"jaechang-hits-smina-molecular-docking","source_name":"jaechang-hits/smina-molecular-docking","name":"Jaechang Hits/Smina Molecular Docking","description":"smina molecular docking CLI. AutoDock Vina fork with customizable scoring functions, native SDF/MOL2/PDB ligand input, autoboxing, local energy minimization, and per-atom score breakdowns. Pipeline: receptor PDBQT prep -> ligand prep (RDKit/OpenBabel) -> dock via autobox or explicit grid -> rescore/minimize with custom scoring -> rank poses by affinity. Choose smina over Vina when you need custom scoring terms (--custom_scoring), local optimization of an existing pose (--local_only), per-atom co","version":1,"lift":{"pass_rate_delta_pts":36.36,"pass_rate_pct":90.9,"total_cases":22,"passed_cases":20,"tokens_delta_pct":193.3,"turns_delta_pct":0,"verdict":"mixed","benchmark_model":"gemini-3.6-flash","grading_method":"judged","completed_at":"2026-08-24T11:30:02.441157+00:00"},"skill_score":0.9091,"benchmark_models":[{"model":"gemini-3.6-flash","headline":true,"delta_pts":36.36,"with_pass_pct":90.9,"without_pass_pct":54.5,"tokens_delta_pct":193.3,"turns_delta_pct":0,"total_cases":22,"cases_aggregated":22,"verdict":"mixed","never_hurt":true,"completed_at":"2026-08-24T11:30:02.441157+00:00","run_id":"ac6e0742-4472-4d3b-9f59-508537818542","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":"GPL-2.0","install_count":0,"manifest_hash":"808ec3b4802ffee6f64dfcfda89d380195c2a5cc072439d3cdbe5b2572aeb3dc","raw_url":"https://app.decimal.ai/s/jaechang-hits-smina-molecular-docking/SKILL.md","scorecard_url":"https://app.decimal.ai/skills/jaechang-hits-smina-molecular-docking"}