Supported Applications


  • Description

    a state-of-the-art method for molecular docking

  • Installation

    Use the following command to install this title with the CLI client: $ sbgrid-cli install diffdock Copy to clipboard Available operating systems: Linux 64
  • Primary Citation*

    G. Corso, H. Stärk, B. Jing, R. Barzilay, and T. Jaakkola. 2023. DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking. arXiv Labs.

    • *Full citation information available through

  • Keywords

    Protein-Ligand Docking, Protein-Protein Docking

  • Default Versions

    Linux 64:  3d45728 (8.2 GB)

  • Other Versions

      Linux 64:

      73ef67f (6.2 GB)
  • Developers

    Hannes Staerk, Bowen Jing, Regina Barzilay, Tommi Jaakkola, Gabriele Corso