Alignn

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Page 8 of 9

- Added QM9_DGL training
- Clean up DOS training scripts

- Added multi-output regression capability
- Fast dataset predictions
- Fixed pandas version

- Train from folder
- Several minor updates

- Best MAEs so far on JV & MP datasets.

- Fix bug in data.py for classification

- Increase test coverage
- Add classification models
- High-accuracy ALIGNN model parameters added

Has known vulnerabilities

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