Dataset for: Anniés et al., "Accessing structural, electronic, transport and mesoscale properties of Li-GICs via a complete DFTB-model with machine-learned repulsion potential"

GPrep training data, GPrep jupyter notebook, .skf files. The GPrep code is available at https://doi.org/10.5281/zenodo.3697913

本数据集涵盖GPrep训练数据、GPrep交互式编程笔记本（Jupyter Notebook）以及.skf格式文件。GPrep代码可通过https://doi.org/10.5281/zenodo.3697913获取。