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LLNL / graphite

A repository for implementing graph network models based on atomic structures.
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A little question about this project #8

Open Zhoushun2021 opened 3 weeks ago

Zhoushun2021 commented 3 weeks ago

非常感谢您做出的贡献！ 请问这个项目可以做到，直接输入cif或vasp结构，然后去预测它的光谱吗？