← Drug discovery & molecules

DiffDock

Diffusion generative model for molecular docking.

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CategoryDrug discovery & molecules
GitHubgcorso/DiffDock
First public2022-10-04 (source)
Paperhttps://arxiv.org/abs/2210.01776
LicenseMIT
PricingOpen source
Tags#docking#diffusion
Last checked2026-10-16

Specs

TaskMolecular docking (diffusion)
Molecular representation—
Open weights—
GitHub stars1,585
InterfaceDocker

Specs come from each project's README, paper or official page · DiffDock README. “—” means we couldn't verify it.

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