How to repeat the test-result in your paper

ACEsuit / mace

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

Other

415 stars 157 forks source link

How to repeat the test-result in your paper #335

Closed XiaoTongDeng closed 4 months ago

XiaoTongDeng commented 4 months ago

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?