Predicts protein-small-molecule binding poses with DiffDock and DiffDock-L from PDB or sequence plus SMILES/SDF/MOL2. Covers batch docking, pose triage, confidence interpretation, and validation. Use for molecular docking and virtual-screening pose generation, not binding-affinity prediction.
安装
npx skills add K-Dense-AI/scientific-agent-skills --skill diffdocknpx skills add K-Dense-AI/scientific-agent-skills --skill diffdock -a claude-code -gnpx skills add K-Dense-AI/scientific-agent-skills --skill diffdock -a codex -ggemini skills install https://github.com/K-Dense-AI/scientific-agent-skills.git --path skills/diffdockgh skill install K-Dense-AI/scientific-agent-skills diffdockgit clone --depth 1 https://github.com/K-Dense-AI/scientific-agent-skills /tmp/K-Dense-AI__scientific-agent-skills
mkdir -p ~/.claude/skills ~/.agents/skills
cp -R /tmp/K-Dense-AI__scientific-agent-skills/skills/diffdock ~/.claude/skills/diffdock # Claude Code
cp -R /tmp/K-Dense-AI__scientific-agent-skills/skills/diffdock ~/.agents/skills/diffdock # Codex, Cursor, Gemini CLI, Copilot, OpenCode