| # BindingDB Processed Dataset | |
| This dataset is derived from [BindingDB](https://www.bindingdb.org/rwd/bind/chemsearch/marvin/Download.jsp), specifically from `BindingDB_All_2D_202503_sdf.zip`. | |
| The dataset creation code can be found [here](https://github.com/vladimirkovacevic/pl-llm/blob/main/prot_chem.ipynb). | |
| --- | |
| 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-* | |
| --- | |