AdrianM0/SMILES-to-IUPAC-BOOTSTRAP-ROUND-29
收藏Hugging Face2025-10-06 更新2025-10-25 收录
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https://hf-mirror.com/datasets/AdrianM0/SMILES-to-IUPAC-BOOTSTRAP-ROUND-29
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资源简介：
这是一个包含化学分子信息的数据集，具体包括了SMILES和IUPAC两种格式表示的分子结构。数据集分为训练集和验证集，共有约224万字节，其中训练集约194万字节，包含12499个示例；验证集约31万字节，包含2000个示例。
This is a dataset containing chemical molecule information, which includes molecular structures represented in SMILES and IUPAC formats. The dataset is divided into training and validation sets, totaling about 2.24 million bytes, with the training set being about 1.94 million bytes containing 12,499 examples; the validation set is about 310,000 bytes containing 2,000 examples.
提供机构：
AdrianM0
