BindingDB Processed Dataset

This dataset is derived from BindingDB, specifically from BindingDB_All_2D_202503_sdf.zip.

The dataset creation code can be found here.

dataset_info: features: - name: ligand dtype: string - name: protein dtype: string - name: ic50 dtype: float64 splits: - name: train num_bytes: 568898862 num_examples: 972285 - name: test num_bytes: 142171753 num_examples: 243072 download_size: 393836446 dataset_size: 711070615 configs: - config_name: default data_files: - split: train path: data/train-* - split: test path: data/test-*