alterlab-diffdock
From the author
Predicts protein-ligand binding poses with DiffDock diffusion-based molecular docking from PDB structures and SMILES, producing pose confidence scores for virtual screening and structure-based drug design. Use when docking ligands into a protein, generating binding poses, or screening compounds against a target; not for binding affinity prediction. Part of the AlterLab Academic Skills suite.
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npx skills add AlterLab-IEU/AlterLab-Academic-Skills --skill alterlab-diffdock -a claude-code
Installs to .claude/skills/alterlab-diffdock/ · Each command fetches the skill straight from GitHub with the open skills CLI.
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