DeeplyTough: Learning Structural Comparison of Protein Binding Sites (pre-processed datasets)

This deposit includes the processed versions of TOUGH-M1 (Govindaraj and Brylinski, 2018), Vertex (Chen et al., 2016), and ProSPECCTs (Ehrt et al., 2018) datasets as used in our JCIM paper (Simonovsky and Meyers, 2020) - https://pubs.acs.org/doi/abs/10.1021/acs.jcim.9b00554. Specifically, this may include PDB files with associated pockets, pre-processed HTMD features, or UniProt accession number and cluster mappings. Note that these datasets have to be combined with the original dataset files released by the respective authors. Liability: We do not represent and/or warrant that no third party rights exist which might prevent the use of the database or that no third party rights would be infringed by said use.