LeMaterial/LeMat-Bulk-MLIP-Hull-All

该数据集包含了一系列与位点相关的特征，包括位点的不可变ID、位点数量、位点物种序列等，并提供了多种能量计算结果，如DFT能量、MACE能量等。数据集仅包含训练集，共有约5335286个示例。

The dataset includes a series of site-related features, including immutable ID of the site, number of sites, species sequence at the site, and provides various energy calculation results, such as DFT energy, MACE energy, etc. The dataset contains only a training set with a total of approximately 5335286 examples.