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    Copyright © 2026 NVIDIA Corporation

    MIT

    diffdock

    Downloadable

    Predicts the 3D structure of how a molecule interacts with a protein.

    • BioNemo
    • Chemistry
    • Docking
    • nim
    • Drug Discovery
    Get API Key
    API ReferenceAPI Reference
    Accelerated by DGX Cloud

    Input

    Provide a molecule to dock in an SDF file.

    Provide a molecule to dock in an SDF file.

    Upload a file...
    File Types:
    .sdf.mol2

    Provide a protein to which the ligand will dock in a PDB file.

    Provide a protein to which the ligand will dock in a PDB file.

    Upload a file...
    File Types:
    .pdb
    111213140
    1100
    20222426283032343638404244464850525456586062646668707274767880828486889092949698100
    Free APIs for development
    Your API requests may be rate limited. Traffic from other users may cause throttling.

    GOVERNING TERMS: Your use of this API is governed by the NVIDIA API Trial Service Terms of Use; and the use of this model is governed by the NVIDIA AI Foundation Models Community License and MIT License.

    Output