DiffDock

Protein-ligand docking with diffusion models. Receive ranked docking poses with confidence scores.
Estimated minimum cost: $—

Examples

Protein target

Provide a PDB ID or upload a PDB/CIF structure. For batch CSV mode, protein is optional when each row includes a protein path.

Ligand input

Provide one or more ligands as SMILES (one per line), structure files, or a batch CSV. All ligands in a single submission are docked against the protein target above.

Optional settings

Adjust diffusion sampling parameters that control pose diversity, quality, and optional visualization output.