Datasets Activity Stream About Order by Relevance Name Ascending Name Descending Last Modified Go 2 datasets found Tags: Structure-based 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 and PDBBind A new benchmark dataset for structure-based virtual screening, constructed based on DUD-E and PDBBind databases. Dataset JSON
