Training data and models for molecular dynamics of Li6PS5Cl
收藏DataCite Commons2026-05-02 更新2026-05-07 收录
下载链接：
https://zenodo.org/doi/10.5281/zenodo.18902499
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资源简介：
Datasets and trained models for molecular dynamics on the argyrodite Li6PS5Cl using the allegro machine-learned interatomic potentials.
Datasets are labeled with composition date, function, and number of frames.
Models using the 0.6.0 version of nequip are included with their training metrics.
提供机构：
Zenodo
创建时间：
2026-05-02
