| license: cc-by-4.0 | |
| configs: | |
| - config_name: default | |
| data_files: | |
| - split: train | |
| path: data/train-* | |
| - split: test | |
| path: data/test-* | |
| - split: validation | |
| path: data/validation-* | |
| dataset_info: | |
| features: | |
| - name: input | |
| dtype: string | |
| - name: mc_labels | |
| sequence: float64 | |
| splits: | |
| - name: train | |
| num_bytes: 203939038678 | |
| num_examples: 945455307 | |
| - name: test | |
| num_bytes: 25523244912 | |
| num_examples: 118890444 | |
| - name: validation | |
| num_bytes: 24920275439 | |
| num_examples: 118451032 | |
| download_size: 270730145 | |
| dataset_size: 254382559029 | |
| # SAFE | |
| Sequential Attachment-based Fragment Embedding (SAFE) is a novel molecular line notation that represents molecules as an unordered sequence of fragment blocks to improve molecule design using generative models. | |
| Find the details and how to use at SAFE in the repo https://github.com/datamol-io/safe or the paper https://arxiv.org/pdf/2310.10773.pdf. |