v0.0.1
Pre-release
Pre-release
RandomDefaultUser
released this
08 Jun 12:58
·
2168 commits
to master
since this release
Current features:
- Preprocessing of QE data using LAMMPS interface and parsers
- Networks can be created and trained using pytorch
- Hyperparameter optimization using optuna
- experimental: orthogonal array tuning and neural architecture search without training supported
- Postprocessing using QE total energy module