- Release at the paper acceptance stage - Added codecov coverage, and paperswithcode badges
2021.08.02
- Added output_dir option - Added hMOF and PDBBind core database trainers - Added early_stopping - Fixed standardscaler to work with folder based training
2021.07.10
- Simplify train_folder.py - Add more datasets
2021.07.05
- QM9_JCTC training - EDOS_PDOS script added - Multiple output data training example added
2021.06.20
- Added QM9_DGL training - Clean up DOS training scripts
2021.06.18
- Added multi-output regression capability - Fast dataset predictions - Fixed pandas version