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--- |
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dataset_info: |
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features: |
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- name: input |
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dtype: string |
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- name: mc_labels |
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sequence: float64 |
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splits: |
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- name: train |
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num_bytes: 66709931019 |
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num_examples: 315151780 |
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- name: test |
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num_bytes: 11625286787 |
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num_examples: 54872514 |
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download_size: 17338800261 |
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dataset_size: 78335217806 |
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configs: |
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- config_name: default |
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data_files: |
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- split: train |
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path: data/train-* |
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- split: test |
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path: data/test-* |
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--- |
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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. |
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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. |
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This dataset is a subset of the original SAFE dataset, made for the purpose of training smaller models. |
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