raphavlas/zinc20
收藏Hugging Face2025-07-18 更新2025-08-30 收录
下载链接：
https://hf-mirror.com/datasets/raphavlas/zinc20
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资源简介：
该数据集包含了化学分子的多种属性，如SMILES表示、分子ID、InChI键、分子量、LogP、反应性、可购买性、分子支架等信息。数据集被划分为训练集和测试集，可用于化学分子的研究和分析。
The dataset contains various properties of chemical molecules, such as SMILES representation, molecule ID, InChI key, molecular weight, LogP, reactivity, purchasability, molecular scaffold, and more. The dataset is split into training and test sets, which can be used for research and analysis of chemical molecules.
提供机构：
raphavlas
