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DiffDock
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DiffDock

Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking

by gcorso · GitHub
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bindingcomputational-biologydiffusion-modelsMITPython
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Run molecular docking simulations to study how molecules bind together using the DiffDock method.

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1.55k1.54k
2026-07-202026-08-31
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📄 About

Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking

DiffDock has 1.5k stars on GitHub. It has been forked 356 times. DiffDock is written mainly in Python. It has been in active development since 2022. DiffDock is available under the MIT license. Its main topics are binding, computational-biology, diffusion-models, docking.

Frequently asked questions

What is DiffDock?

Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking

Is DiffDock open source?

DiffDock is an open-source project. It is released under the MIT license.

Is DiffDock free?

Yes. DiffDock is free and open source — you can use, modify and self-host it.

What license does DiffDock use?

DiffDock is available under the MIT license.

What language is DiffDock written in?

DiffDock is written mainly in Python.

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