colabfit/Alex-MP-20_Polymorph_Split

这是一个用于执行晶体结构预测的新划分数据集，名为Alex-MP-20-polymorph-split，来源于Alex-MP-20数据集。该数据集包含了来自MP-20和Alexandria的结构信息，确保了相同成分的结构在同一划分中。数据集分为训练集、测试集和验证集，分别包含405,073、135,116和135,015个结构。

This is a new split for crystal structure prediction, named Alex-MP-20-polymorph-split, sourced from the Alex-MP-20 dataset. The dataset includes structure information from MP-20 and Alexandria, ensuring that structures of the same composition are in the same split. The dataset is divided into training, test, and validation sets, containing 405,073, 135,116, and 135,015 structures respectively.