| --- |
| dataset_info: |
| features: |
| - name: SMILES |
| dtype: large_string |
| - name: ID |
| dtype: large_string |
| - name: SELFIES |
| dtype: string |
| - name: SAFE |
| dtype: string |
| splits: |
| - name: train |
| num_bytes: 330390614 |
| num_examples: 1198755 |
| - name: test_molecular_weight |
| num_bytes: 25842157 |
| num_examples: 93763 |
| - name: test_scaffold |
| num_bytes: 109251279 |
| num_examples: 396396 |
| - name: test_max_dissimilarity |
| num_bytes: 25517211 |
| num_examples: 92584 |
| - name: test_random |
| num_bytes: 25842157 |
| num_examples: 93763 |
| download_size: 179494304 |
| dataset_size: 516843418 |
| 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-* |
| --- |
| |
