{
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  "slug": "diffdock-nim",
  "name": "diffdock-nim",
  "description": "Run DiffDock molecular docking via NVIDIA NIM to predict small-molecule binding poses against protein targets. Use for DiffDock, molecular docking, ligand docking, blind docking, SMILES or SDF ligands, ranked poses, confidence scores, hosted NVIDIA API, or local Docker deployment.",
  "category": "analysis",
  "version": "1.0.0",
  "author": "NVIDIA BioNeMo Agent Toolkit (adapted by Heureka Labs)",
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  "attribution": "https://github.com/NVIDIA-BioNeMo/bionemo-agent-toolkit",
  "tags": [
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    "binding-pose",
    "nim",
    "nvidia",
    "diffdock"
  ],
  "updatedAt": "2026-07-23T05:51:20-04:00",
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