LeMaterial/LeMat-Traj-subset
收藏Hugging Face2025-05-15 更新2025-05-31 收录
下载链接：
https://hf-mirror.com/datasets/LeMaterial/LeMat-Traj-subset
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资源简介：
该数据集包含了四种配置（pbe、pbesol、r2scan和scan）的化学结构信息，每种配置都提供了丰富的特征，如元素组成、化学式、晶格结构、能量信息等。数据集被分为训练集和测试集，用于化学性质预测和分析。
The dataset consists of chemical structure information across four configurations (pbe, pbesol, r2scan, and scan), each providing a comprehensive set of features such as elemental composition, chemical formulas, lattice structures, energy information, and more. The dataset is split into training and test sets for chemical property prediction and analysis.
提供机构：
LeMaterial
