Entalpic/LeMat-Ads
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资源简介：
该数据集包含化学结构相关的多种属性，如化学式、元素比例、晶格向量、原子位置等。同时还包括反应物和产物的能量信息。数据集分为训练集，包含约728,192个示例，总大小约为3.9GB。
The dataset includes various properties related to chemical structures, such as chemical formulas, element ratios, lattice vectors, atomic positions, etc. It also contains energy information for reactants and products. The dataset is split into a training set with approximately 728,192 examples, totaling about 3.9GB in size.
提供机构：
Entalpic
