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此教程写于2018年，pymatgen已经更新过很多次，所以强烈建议大家阅读官方教程，此教程仅作为参考！ pymatgen是Materials Project ...
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torch>=2.3.1 torchaudio>=2.3.1 torchvision>=0.18.1 pytorch-lightning==2.4.0 Create a new conda environment and install torch, torchvision, torchaudio: conda create -n DMT python=3.10 conda activate ...
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