Classify magnetic orderings using the current version of e3nn. This is an updated version of the code used by Merker et al.
The most recent run was at 71.7% accuracy overall; more information in statistics.txt.
Data preprocessing and model training/testing are in two separate files. Both files can be run separately, or both at once using run_magnetic_ordering.py.
Non-extensive list of notable dependencies:
- e3nn >= 0.4.4
- torch==1.10.2
- torch-geometric (installed with cuda version 11.3)
- numpy==1.22.1
- pymatgen==2022.3.29
- ase==3.22.1