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: x-cmd/skill/diffdock

Author

x-cmd

https://github.com/x-cmd View all skills

Repository

x-cmd/skill

x-cmdLicense: Apache-2.0

245

Install this agent skill to your local

pnpm dlx add-skill https://github.com/x-cmd/skill/diffdock

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