colabfit/HME21_validation
收藏Hugging Face2025-04-01 更新2025-04-12 收录
下载链接：
https://hf-mirror.com/datasets/colabfit/HME21_validation
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资源简介：
HME21验证数据集是从HME21中提取的验证集。该数据集包含大约25,000个配置，涵盖37种元素，用于训练名为PreFerential Potential（PFP）的通用神经网络势能。数据集特别包含无序和不稳定结构，以及包含不规则替代的结构，以及不同的温度和密度。数据集中的额外详细信息以"dataset_"为前缀。
The HME21 validation dataset is extracted from HME21 for validation purposes. It contains approximately 25,000 configurations across 37 elements, used to train a universal neural network potential called PreFerential Potential (PFP). The dataset specifically includes disordered and unstable structures, structures with irregular substitutions, as well as varied temperatures and densities. Additional details in the dataset are prefixed with dataset_.
提供机构：
colabfit
