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ACEsuit / mace

MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.

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How to repeat the test-result in your paper

XiaoTongDeng opened this issue · comments

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I want to repeat your test-result of 3BPA dataset in your paper,but i cant do that.i get rmse-energy 0.1mev/atom and rmse-forces 12.7mev/A that is different from your paper in 300K 3BPA.The energy is better but forces is wrong,so can I get your training arg_parser configuration?