jablonkagroup/sigma_aldrich_safety_data-multimodal
收藏Hugging Face2025-03-23 更新2025-04-12 收录
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https://hf-mirror.com/datasets/jablonkagroup/sigma_aldrich_safety_data-multimodal
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资源简介：
chempile-xtra数据集是一个化学信息数据集，包含了化学物质的SMILES表示、CAS编号以及多种化学性质（如H200至H411等）。数据集分为训练集、验证集和测试集，总共包含约124万条记录。每个记录可能包含图像信息以及InChI、IUPAC名称和模板信息。
The chempile-xtra dataset is a chemical information dataset that includes chemical substance representations in SMILES format, CAS numbers, and a variety of chemical properties (such as H200 to H411). The dataset is divided into training, validation, and test sets, with a total of approximately 1.24 million records. Each record may contain image information, as well as InChI, IUPAC names, and template information.
提供机构：
jablonkagroup
