- ALIGNN-FF and ALIGNN-Evac model added. - Updated README
2022.10.23
- Added number of classes in alignn.
2022.09.22
- ALIGNN PhononDOS model added.
2022.01.25
- `get_multiple_predictions` added for high throughput predictions with trained ALIGNN models - Added note about QM9 results issue in README
2021.12.27
- Python 3.7 requirement in setup.py to make colab work.
2021.12.26
- README update - Added QETB database training script - Removed dgl-cu101 from setup.py as some mac systems are having issue to directly using setup.py. They should install using pip install dgl-cuXYZ command.