colabfit/HME21_train
收藏Hugging Face2025-04-01 更新2025-04-12 收录
下载链接：
https://hf-mirror.com/datasets/colabfit/HME21_train
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资源简介：
HME21训练数据集是从HME21中提取的训练集，包含约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函数。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存储在以dataset_为前缀的列中。
The HME21 train dataset is a training set extracted from HME21, containing approximately 25,000 configurations of 37 elements, used for training a universal neural network potential function 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 are stored in columns prefixed with dataset_.
提供机构：
colabfit
