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DiffDock NIM

Skill

Predict protein–ligand docking poses with NVIDIA DiffDock NIM

by NVIDIAAgents & AutomationScience & Engineering Listed Feb 25, 2026

Clone or download it from github.com, then drop the folder into ~/.claude/skills/ (Claude Code) or your agent's skills directory.

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About DiffDock NIM

NVIDIA BioNeMo skill for DiffDock molecular docking via NIM—predict ranked ligand binding poses against protein targets from SMILES/SDF, hosted or local Docker.

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