| license: mit | |
| language: | |
| - en | |
| pretty_name: smiles-transformer-dataset | |
| size_categories: | |
| - 100M<n<1B | |
| dataset_info: | |
| features: | |
| - name: text | |
| dtype: string | |
| - name: formula | |
| dtype: string | |
| - name: NumHDonors | |
| dtype: int64 | |
| - name: NumHAcceptors | |
| dtype: int64 | |
| - name: MolLogP | |
| dtype: float64 | |
| - name: NumHeteroatoms | |
| dtype: int64 | |
| - name: RingCount | |
| dtype: int64 | |
| - name: NumRotatableBonds | |
| dtype: int64 | |
| - name: NumAromaticBonds | |
| dtype: int64 | |
| - name: NumAcidGroups | |
| dtype: int64 | |
| - name: NumBasicGroups | |
| dtype: int64 | |
| - name: Apol | |
| dtype: float64 | |
| splits: | |
| - name: train | |
| num_bytes: 6764409 | |
| num_examples: 40999 | |
| - name: test | |
| num_bytes: 881559 | |
| num_examples: 5128 | |
| - name: validation | |
| num_bytes: 825326 | |
| num_examples: 5128 | |
| download_size: 2440791 | |
| dataset_size: 8471294 | |