Training data and models for molecular dynamics of Li6PS5Cl
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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.
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Zenodo创建时间：
2026-05-02
