Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
We have released DiffDock-L, a new version of DiffDock that provides a significant improvement in performance and generalization capacity (see the description of the new version in our new paper). By default the repository now runs the new model, please use GitHub commit history to run the original DiffDock model. Further we now provide instructions for Docker and to set up your own local UI interface.
Full Changelog: https://github.com/gcorso/DiffDock/compare/v1.0...v1.1