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CederGroupHub / chgnet

Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov
https://doi.org/10.1038/s42256-023-00716-3
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Pretraining hyperparameters for CHGNet #126

Closed shuix007 closed 4 months ago

shuix007 commented 4 months ago

Dear Authors,

Thank you for the great work and the effort in putting up the software!

Is it possible that you can share the configuration (e.g., batch size, number of epochs, etc.) for training (not fine-tuning) CHGNet from scratch?

BowenD-UCB commented 4 months ago

All the hyperparameters for v0.3.0 can be found here