Datasets Activity Stream About Order by Relevance Name Ascending Name Descending Last Modified Go 3 datasets found Tags: Virtual Screening Filter Results PDBBind A dataset of 3D structures of about 10k complexes, i.e., structures of ligands docked in binding pockets of proteins. Dataset JSON DUD-E A dataset of 102 proteins, 22,886 active compounds, and over 1M decoys for training and testing. Dataset JSON DUD-E and PDBBind A new benchmark dataset for structure-based virtual screening, constructed based on DUD-E and PDBBind databases. Dataset JSON
