nimashoghi/matbench_mp_is_metal_fold1

这是一个包含原子结构信息的数据集，具体包括原子索引、原子在空间中的位置、原子序数、原子数目、标签、是否固定、晶格参数和周期性边界条件等特征。数据集分为训练集、验证集和测试集，可用于机器学习模型的训练和评估。

This dataset contains atomic structure information, including features such as atomic indices, positions of atoms in space, atomic numbers, number of atoms, tags, fixation status, lattice parameters, and periodic boundary conditions. The dataset is divided into training, validation, and test sets, which can be used for training and evaluation of machine learning models.