| dataset_info: | |
| features: | |
| - name: key | |
| dtype: string | |
| - name: shard | |
| dtype: int32 | |
| - name: n_conformers | |
| dtype: int32 | |
| - name: offset | |
| dtype: int64 | |
| - name: mol_blocks | |
| list: string | |
| - name: torsion_deg | |
| list: float32 | |
| splits: | |
| - name: train | |
| num_bytes: 26639308995 | |
| num_examples: 1559779 | |
| download_size: 7531603014 | |
| dataset_size: 26639308995 | |
| configs: | |
| - config_name: default | |
| data_files: | |
| - split: train | |
| path: data/train-* | |
| # 3DCS Rotation Dataset | |
| This dataset stores rotation conformers in MolBlock format with torsion angles. | |
| - Fields: key, shard, n_conformers, offset, mol_blocks, torsion_deg | |
| - Source: 3DCS benchmark | |