fabikru/chembl-2025-randomized-smiles-cleaned
收藏Hugging Face2025-03-21 更新2025-04-12 收录
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https://hf-mirror.com/datasets/fabikru/chembl-2025-randomized-smiles-cleaned
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资源简介：
该数据集包含化合物的SMILES（Simplified Molecular Input Line Entry System）表示，分为训练集和测试集。训练集包含超过232万个示例，而测试集包含5万个示例。数据集的总大小约为148MB。
The dataset contains the SMILES (Simplified Molecular Input Line Entry System) representations of compounds, split into training and test sets. The training set comprises over 2.3 million examples, while the test set contains 50,000 examples. The total size of the dataset is approximately 148MB.
提供机构：
fabikru
