leeleolay

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![image](https://github.com/user-attachments/assets/75fccd3d-9f01-468e-bdd3-64a5259009fa) 跑angle的案例会有很多warning,辛苦看下这个问题

可以在文档里添加上每个模型的训练结果图片。

I am curious about metal complex data, but the file is so big and directory is so many, I am not easy to figure out the location of the metal...

By the way, I want to know the accurate version of ORCA if possible, because when I am using multiwfn to process the original file, the version is dismatched with...

predictor和calculator建议取消掉ppmat,和trainer保持类似的命名一致性规则

predictor和calculator逻辑拆分的还是有点问题

辛苦提供一个readme文档,怎么运行;requirement里添加hydra

我的测试版本是paddle3.2.2,cuda12.0

Thanks for your attention on PaddleMaterials and your helpful feature request to help PaddleMaterials develop better. Now developers of PaddleMaterials are integrating some predictive models for polymers, at the same...