colabfit/NDSC_TUT_2022
收藏Hugging Face2025-04-01 更新2025-04-12 收录
下载链接：
https://hf-mirror.com/datasets/colabfit/NDSC_TUT_2022
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资源简介：
NDSC TUT 2022数据集包含500个Mg2的分子动力学(MD)预测配置，这些配置是基于在Al、W、Mg和Si上拟合的模型。数据集还包括以"dataset_"为前缀的列存储的额外详细信息。数据集中的元素为Mg，包含的性质有能量、原子力和Cauchy应力。
The NDSC TUT 2022 dataset includes 500 molecular dynamics (MD) prediction configurations of Mg2, based on a model fitted on Al, W, Mg, and Si. The dataset also contains additional details in columns prefixed with "dataset_". The elements included are Mg, and the properties include energy, atomic forces, and Cauchy stress.
提供机构：
colabfit
