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Dependencies
- dgl >=1.1.3
- jarvis-tools >=2021.07.19
- matplotlib >=3.4.1
- numpy <2.0.0,>=1.26.0
- pandas >=1.2.3
- pydantic-settings
- pysmartdl2
- ruamel-yaml
- scikit-learn >=1.3.1
- scipy >=1.11.0
- spglib ==2.0.2
- torch >=2.1.0
- torchdata ==0.9.0
- tqdm >=4.60.0
7 optional dependencies
- accelerate[full]
- ase[full]
- flake8[full]
- pycodestyle[full]
- pydocstyle[full]
- pyparsing[full]
- pytorch-ignite[full]