DiffDock NIM

Predict protein-ligand binding poses with blind docking. Use this SKILL.md for first-pass hosted/local usage; load supplemental files only when needed:

• references/api.md: exact hosted/local endpoints, schemas, Docker flags.
• references/science.md: docking use cases, limits, and handoffs.
• references/parameters.md: ligand formats, pose counts, diffusion controls.
• references/validation.md: receptor, ligand, pose, and confidence checks.
• references/examples.md: compact hosted/local and pose-saving patterns.

Choose Mode

Ask only when context is unclear:

Hosted NVIDIA API or local Docker NIM?

• Hosted: https://health.api.nvidia.com/v1/biology/mit/diffdock
• Local: http://localhost:8000/molecular-docking/diffdock/generate