--- dataset_info: features: - name: index dtype: int64 - name: A dtype: float64 - name: B dtype: float64 - name: C dtype: float64 - name: mu dtype: float64 - name: alpha dtype: float64 - name: homo dtype: float64 - name: lumo dtype: float64 - name: gap dtype: float64 - name: r2 dtype: float64 - name: zpve dtype: float64 - name: U0 dtype: float64 - name: U dtype: float64 - name: H dtype: float64 - name: G dtype: float64 - name: Cv dtype: float64 - name: smiles dtype: string - name: canonsmiles dtype: string - name: isSmilesEqual dtype: bool - name: generic_scaffold dtype: string - name: scaffold dtype: string - name: rdkit_WT dtype: float64 - name: rdkit_MR dtype: float64 - name: rdkit_LogP dtype: float64 - name: rdkit_HA dtype: float64 - name: rdkit_HD dtype: float64 splits: - name: train num_bytes: 30658617 num_examples: 128885 - name: test num_bytes: 1189537 num_examples: 5000 download_size: 24625357 dataset_size: 31848154 configs: - config_name: default data_files: - split: train path: data/train-* - split: test path: data/test-* task_categories: - text2text-generation - feature-extraction tags: - chemistry size_categories: - 100K