DiffDock


Protein-ligand docking with diffusion models. Receive ranked docking poses with confidence scores.

Estimated minimum cost: $1.0260

Optional settings


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

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.