Diffusion-based molecular docking. Predict protein-ligand binding poses from PDB/SMILES, confidence scores, virtual screening, for structure-based drug design. Not for affinity prediction.
Install
npx skills add davila7/claude-code-templates --skill diffdocknpx skills add davila7/claude-code-templates --skill diffdock -a claude-code -gnpx skills add davila7/claude-code-templates --skill diffdock -a codex -ggemini skills install https://github.com/davila7/claude-code-templates.git --path cli-tool/components/skills/scientific/diffdockgh skill install davila7/claude-code-templates diffdockgit clone --depth 1 https://github.com/davila7/claude-code-templates /tmp/davila7__claude-code-templates
mkdir -p ~/.claude/skills ~/.agents/skills
cp -R /tmp/davila7__claude-code-templates/cli-tool/components/skills/scientific/diffdock ~/.claude/skills/diffdock # Claude Code
cp -R /tmp/davila7__claude-code-templates/cli-tool/components/skills/scientific/diffdock ~/.agents/skills/diffdock # Codex, Cursor, Gemini CLI, Copilot, OpenCode