数据集

Standardized benchmark dataset for evaluating virtual screening methods. Includes decoys, actives, and molecular descriptors for the DUD-E subset.

Comprehensive mutagenesis data for GABA(A) receptor subunits. Includes functional assays for epilepsy-associated KCNQ2 variants.

A curated dataset of 10,000 protein-ligand complexes with experimentally measured binding affinities (Ki, Kd, IC50). Sourced from PDBBind and BindingDB.