jablonkagroup/BBBP-multimodal
收藏Hugging Face2025-03-17 更新2025-04-12 收录
下载链接：
https://hf-mirror.com/datasets/jablonkagroup/BBBP-multimodal
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资源简介：
chempile-xtra数据集包含化学分子相关的多种表示，如SMILES、SELFIES、InChI和IUPAC字符串，以及分子的图像表示。数据集分为训练集、验证集和测试集，共包含约207.6百万字节数据。每个样本包含分子表示和相关属性，如是否为活性化合物（p_np字段）。
The chempile-xtra dataset includes various representations of chemical molecules, such as SMILES, SELFIES, InChI, and IUPAC strings, as well as the image representation of molecules. The dataset is divided into training, validation, and test sets, containing approximately 207.6 million bytes of data. Each sample includes molecular representations and related attributes, such as whether the compound is active (p_np field).
提供机构：
jablonkagroup
