ChemistryAtlas Dataset
CrossDocked2020
Protein-ligand and dockingdockingpose predictionprotein-ligand
Cross-docked protein-ligand complexes used for pose prediction and deep docking model training.
- pose prediction
- 3D generative modeling
Category: Protein-ligand and docking.
Citation: Francoeur et al., J Chem Inf Model 2020.