| --- |
| dataset_info: |
| features: |
| - name: ID |
| dtype: large_string |
| - name: SMILES |
| dtype: large_string |
| - name: SELFIES |
| dtype: string |
| - name: SAFE |
| dtype: string |
| splits: |
| - name: train |
| num_bytes: 817302572 |
| num_examples: 1942492 |
| - name: test_molecular_weight |
| num_bytes: 56974112 |
| num_examples: 135411 |
| - name: test_scaffold |
| num_bytes: 172539700 |
| num_examples: 410077 |
| - name: test_max_dissimilarity |
| num_bytes: 35688394 |
| num_examples: 84821 |
| - name: test_random |
| num_bytes: 56974112 |
| num_examples: 135411 |
| download_size: 397357411 |
| dataset_size: 1139478890 |
| configs: |
| - config_name: default |
| data_files: |
| - split: train |
| path: data/train-* |
| - split: test_molecular_weight |
| path: data/test_molecular_weight-* |
| - split: test_scaffold |
| path: data/test_scaffold-* |
| - split: test_max_dissimilarity |
| path: data/test_max_dissimilarity-* |
| - split: test_random |
| path: data/test_random-* |
| --- |
| |
