Alignn

Latest version: v2024.4.10

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2024.4.10

- Added InterMat CBM/VBM models

2024.3.24

- Add environment.yml file for conda based GitHub actions

2024.3.4

- Removed pytorch-ignite dependency to enable conda-forge build
- Removed accelerate package, instead use torch.DataParallel
- Removed train_folder.py and train_folder_ff.py, instead use train_alignn.py
- Increase coverage by adding a phonon test

2024.1.14

- [Use torch deterministic algorithm.](https://github.com/usnistgov/alignn/pull/139#top)

2023.08.01

- Added multiple ALIGNN-FF and Catalyst specific pretrained models
- Added options to save best and last models
- Updated restart model path option
- Added line graph on fly option

2023.07.10

- Moved ALIGNN-FF models to figshare to reduce GitHub repo size.

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