colabfit/HME21_test
收藏Hugging Face2025-04-01 更新2025-04-12 收录
下载链接：
https://hf-mirror.com/datasets/colabfit/HME21_test
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资源简介：
HME21测试数据集是从HME21中选取的测试集。这个高温多元素2021（HME21）数据集包含大约25,000个配置，涵盖了37种元素，用于训练一种名为PreFerential Potential（PFP）的通用神经网络势能。该数据集特别包含无序和不稳定的结构，以及包含不规则替位的结构，还有不同的温度和密度变化。数据集中的额外详细信息存储在以"dataset_"为前缀的列中。
The HME21 test dataset is a subset selected from HME21. This high-temperature multi-element 2021 (HME21) dataset comprises approximately 25,000 configurations, including 37 elements, used in the training of a universal neural network potential called PreFerential Potential (PFP). The dataset specifically contains disordered and unstable structures, as well as structures that include irregular substitutions, and varied temperature and density. Additional details are stored in dataset columns prepended with "dataset_".
提供机构：
colabfit
