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.
Install
npx skills add K-Dense-AI/drug-discovery-agent-skills --skill autodock-vinanpx skills add K-Dense-AI/drug-discovery-agent-skills --skill autodock-vina -a claude-code -gnpx skills add K-Dense-AI/drug-discovery-agent-skills --skill autodock-vina -a codex -ggemini skills install https://github.com/K-Dense-AI/drug-discovery-agent-skills.git --path skills/autodock-vinagh skill install K-Dense-AI/drug-discovery-agent-skills autodock-vinagit clone --depth 1 https://github.com/K-Dense-AI/drug-discovery-agent-skills /tmp/K-Dense-AI__drug-discovery-agent-skills
mkdir -p ~/.claude/skills ~/.agents/skills
cp -R /tmp/K-Dense-AI__drug-discovery-agent-skills/skills/autodock-vina ~/.claude/skills/autodock-vina # Claude Code
cp -R /tmp/K-Dense-AI__drug-discovery-agent-skills/skills/autodock-vina ~/.agents/skills/autodock-vina # Codex, Cursor, Gemini CLI, Copilot, OpenCode