Agent Skills: diffdock

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.

UncategorizedID: k-dense-ai/claude-scientific-skills/diffdock

Install this agent skill to your local

pnpm dlx add-skill https://github.com/k-dense-ai/claude-scientific-skills/diffdock

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