hypnopump/smiles_transformer_shuffled
收藏Hugging Face2025-09-21 更新2025-10-25 收录
下载链接：
https://hf-mirror.com/datasets/hypnopump/smiles_transformer_shuffled
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资源简介：
这是一个包含化学相关属性的数据集，其中包括文本和化学公式，以及如氢供体、氢受体、分子LogP、异原子数量、环数量、可旋转键数量、芳香键数量、酸性基团数量、碱性基团数量和疏水性等属性。数据集包含一个训练集，共有996601054个样本。
This dataset includes chemical-related attributes such as text and chemical formulas, as well as properties like number of hydrogen bond donors, number of hydrogen bond acceptors, molecular LogP, number of heteroatoms, number of rings, number of rotatable bonds, number of aromatic bonds, number of acid groups, number of basic groups, and hydrophobicity. The dataset contains a training set with a total of 996601054 samples.
提供机构：
hypnopump
