sogenyi

Results 2 issues of sogenyi

Dear All, I am training a model on a SiO2 zeolite system with following setting with loss coefficients defined as loss_coeffs: forces: 1. total_energy: - 1. - PerAtomMSELoss After a...

Dear friends, I trained a model earlier with the model_builders: - allegro.model.Allegro # the typical model builders from `nequip` can still be used: - PerSpeciesRescale - ForceOutput - RescaleEnergyEtc After...