Why the MAE of homo with the spherenet model is 0.018?

divelab / DIG

A library for graph deep learning research

https://diveintographs.readthedocs.io/

GNU General Public License v3.0

1.82k stars 281 forks source link

Closed qiyinger closed 1 year ago

qiyinger commented 1 year ago

The MAE I trained with the spherenet model is 0.018. but MAE of paper is 22，why are they so different

limei0307 commented 1 year ago

Hi @qiyinger, this is because the units are different. For your training and inference, it should be 0.018 eV (18 meV). Thanks.