Comments (2)
Linux-cpp-lisp
commented on July 24, 2024
Hi @Guackkk ,
Thanks for your interest in our code!
During training, see https://github.com/mir-group/nequip/blob/main/configs/full.yaml#L154-L157.
Otherwise, you can use nequip-evaluate to evaluate error metrics and predictions of a trained model on any test or evaluation dataset specified using our YAML syntax in a separate YAML file passed with the --dataset-config option.
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Guackkk
commented on July 24, 2024
Thanks for your quick and kind reply!
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Related Issues (20)
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