├── .gitignore ├── CGAT ├── CGAT.py ├── Hypernetworksmp.py ├── __init__.py ├── add_volume_target.py ├── data.py ├── gaussian_process.py ├── lambs.py ├── lightning_module.py ├── message_changed.py ├── predict.py ├── prepare_data.py ├── roost_message.py ├── test.py ├── test_prepare_data.py ├── train.py └── utils.py ├── LICENSE ├── README.md ├── Utilities ├── adjust_data.py ├── calculate_embeddings.py ├── calculate_errors.py ├── element_correlation.py ├── errors_of_additional_data.py ├── filter_embeddings.py ├── get_additional_data.py ├── get_highest_errors.py ├── gp_predict.py ├── metropolis.py ├── prediction.py ├── prepare.sh ├── prepare_active_learning.py ├── sample.py ├── train.sh └── tsne.py ├── embeddings └── matscholar-embedding.json ├── prepare_data.py ├── pyproject.toml ├── requirements.txt ├── runs └── plot.py ├── setup.cfg ├── setup.py ├── test.py └── training_scripts ├── train.sh ├── transfer_full.sh └── transfer_only_residual.sh /.gitignore: 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