| dataset_info: | |
| features: | |
| - name: SMILES | |
| dtype: large_string | |
| - name: qed | |
| dtype: float32 | |
| - name: SPS | |
| dtype: float32 | |
| - name: MolWt | |
| dtype: float32 | |
| - name: BalabanJ | |
| dtype: float32 | |
| - name: TPSA | |
| dtype: float32 | |
| - name: FractionCSP3 | |
| dtype: float32 | |
| - name: HeavyAtomCount | |
| dtype: int32 | |
| - name: NumAromaticRings | |
| dtype: int32 | |
| - name: NumHAcceptors | |
| dtype: int32 | |
| - name: NumHDonors | |
| dtype: int32 | |
| - name: NumRotatableBonds | |
| dtype: int32 | |
| - name: RingCount | |
| dtype: int32 | |
| - name: MolLogP | |
| dtype: float32 | |
| - name: MolMR | |
| dtype: float32 | |
| splits: | |
| - name: train | |
| num_bytes: 21554867834 | |
| num_examples: 188274604 | |
| - name: val | |
| num_bytes: 2689718483 | |
| num_examples: 23624692 | |
| - name: test | |
| num_bytes: 2689883188 | |
| num_examples: 23624950 | |
| download_size: 16948831358 | |
| dataset_size: 26934469505 | |
| configs: | |
| - config_name: default | |
| data_files: | |
| - split: train | |
| path: data/train-* | |
| - split: val | |
| path: data/val-* | |
| - split: test | |
| path: data/test-* | |