colabfit/Ti_NPJCM_2021
收藏Hugging Face2025-04-01 更新2025-04-12 收录
下载链接：
https://hf-mirror.com/datasets/colabfit/Ti_NPJCM_2021
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资源简介：
Ti NPJCM 2021数据集包含了大约7400个钛的配置，用于训练深度势能，该势能使用DeePMD-kit分子动力学包和DP-GEN训练方案。数据集中的额外详细信息存储在以"dataset_"为前缀的数据列中。该数据集由温童棋、王锐、朱凌宇、张林锋、王韩、David J. Srolovitz和吴昭绚共同创作。
The Ti NPJCM 2021 dataset contains approximately 7,400 configurations of titanium for training deep potentials using the DeePMD-kit molecular dynamics package and the DP-GEN training scheme. Additional details are stored in dataset columns prepended with "dataset_". The dataset was created by Tongqi Wen, Rui Wang, Lingyu Zhu, Linfeng Zhang, Han Wang, David J. Srolovitz, and Zhaoxuan Wu.
提供机构：
colabfit
