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DiffDock

  • Description

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

  • Usage

    To list all executables provided by DiffDock, run: $ sbgrid-list diffdock Copy to clipboard

  • 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

  • Webinars

    DiffDock

    SBGrid webinars are hosted with partial support from the NIH R25 Continuing Education for Structural Biology Mentors #GM151273, in collaboration with Co-PI Jamaine Davis of Meharry Medical College.

    Topic: DiffDock: a state-of-the-art method for molecular docking.

    Presenter: Gabriele Corso, Hannes Staerk, and Bowen Jing, Ph.D. students, MIT Computer Science and Artificial Intelligence Laboratory (CSAIL).

    Host: Pete Meyer
    Recorded on November 14, 2023

    For more information on DiffDock:

    https://sbgrid.org/software/titles/diffdock
    https://github.com/gcorso/DiffDock

  • Keywords

    Protein-Ligand Docking, Protein-Protein Docking

  • Default Versions

    Linux 64:  1.1.3 (7.7 GB)

  • Other Versions

      Linux 64:

      3d45728 (8.2 GB) , 73ef67f (6.2 GB)

  • Developers

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

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