diffdock

Maintained by k-dense-ai

DiffDock and DiffDock-L molecular docking. Use for protein-small-molecule pose prediction from PDB or sequence plus SMILES/SDF/MOL2, batch docking, virtual screening, and pose-confidence interpretation. Not for binding affinity prediction.

Current version: Unknown
License: MIT license
Network access: Unknown / not assessed
Review status: Not verified

Problem it solves

This catalog entry helps users find and evaluate diffdock for the task described by its available catalog summary. Confirm the exact scope in the linked original source when one is available.

When to use it

Consider diffdock when its available catalog summary matches the task at hand. When available, review the linked original source before use for precise instructions, requirements, and limitations.

diffdock is listed as an agent skill in RefHub. The listed maintainer is k-dense-ai. The available catalog summary is: DiffDock and DiffDock-L molecular docking. Use for protein-small-molecule pose prediction from PDB or sequence plus SMILES/SDF/MOL2, batch docking, virtual screening, and pose-confidence interpretation. Not for binding affinity prediction. When available, review the linked original source for exact usage instructions, required tools, and limitations.

Installation and updates

These commands are displayed for copying only and are never executed on RefHub servers. Review the linked upstream source before running them.

Install command

npx skills add k-dense-ai/scientific-agent-skills --skill diffdock -y

Agent compatibility

No compatibility test has been recorded

Do not assume agent compatibility until documented test evidence is available.