This repository hosts the dataset for GatorAffinity. It contains large-scale synthetic structural data of protein–ligand complexes annotated with experimental binding affinities.
GatorAffinity-DB provides synthetic protein–ligand complex structures paired with binding affinity measurements from BindingDB. The dataset comprises:
456,526 unique protein-ligand complexes with experimental affinity measurements (BindingDB)… See the full description on the dataset page:
https://huggingface.co/datasets/AIDD-LiLab/GatorAffinity-DB.
