autodock-vina
autodock-vina is a Bioinformatics & life sciences skill for AI agents, published by K-Dense-AI in the drug-discovery-agent-skills repository on GitHub. Skillspace rates autodock-vina C (77/100) and it passed the safety scan; the rating is based on static analysis only.
Structure-based docking with AutoDock Vina, Vinardo, and AutoDock4 through the Meeko toolchain. Use this skill to define a docking box, prepare receptors and ligands as PDBQT, run single or batch docking, rescore, and interpret affinities, poses, and ligand efficiency. Covers box definition from a reference ligand or pocket residues, protonation and tautomer decisions, flexible side chains, exhaustiveness and seeds, redocking validation, and virtual screening over compound libraries. Also trigger on vina, smina, gnina, mk_prepare_ligand, mk_prepare_receptor, mk_export, scrub.py, PDBQT, autogrid4, docking box, or binding-pose prediction.
- Grade
- C
- Quality
- 77 / 100
- Safety
- Passed
- GitHub stars
- 28
Unproven: rated by static analysis only, not yet compared head-to-head.
Our two independent classifiers differ on this skill's category, so treat the placement as provisional.
This rating describes the version of the repository we crawled; it may have changed since, so go by its current files.
Our review
- Architecture
- 94 / 100
- Maturity
- Packaged: licensed, with a version or references
- Security scan
- No issues found
- License
- Not declared. Check the repository before reusing it.
Not checked yet
- Category is a classifier prediction; no model has read this skill yet
- Not judged on the rubric yet (not a contender in its category)
- No blind task eval yet
- Scope (portable / vendor / repo-internal) not assessed; only the top of each category is read for scope
- Sibling files (scripts, references) not fetched; security scan covers SKILL.md only
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