caobin
/

ASUGNN

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ASUGNN.py: The pretrained ASUGNN model
HMdataset.db: A zero-shot test dataset

You can test your model's zero-shot capability by predicting the formation energy per atom using the HMdataset (1,100 data) and upload your results on Kaggle : https://www.kaggle.com/competitions/asugnn.

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