alterlab-ieu/alterlab-diffdock
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.
npx skills add https://github.com/AlterLab-IEU/AlterLab-Academic-Skills --skill alterlab-diffdockTake alterlab-ieu/alterlab-diffdock from the repository into ~/.claude/skills for personal
use, or into .claude/skills inside a project.
The agent identifies a skill by the name field in its header. Two skills with the
same name cannot sit side by side — one of them will be ignored.
The instructions reference docker.
Without those the skill loads but fails at the first command.