DiffDock is a diffusion model for small molecule ligand docking. From (1).

1.
Corso G, Stark H, Jing B, Barzilay R, Jaakkola TS. DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking. In: ICLR 2023. 2023. Available from: https://openreview.net/forum?id=kKF8_K-mBbS