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Dependencies
- array-api-compat >=1.10
- array-api-extra >=0.10
- ase
- h5py >=3.16
- hydra-core
- igraph >=0.11
- loguru
- numpy <3,>=2.0.0
- numpydantic
- ovld
- pyarrow
- pydantic >=2.10
- pymatgen >2023.6
- python-snappy >=0.7.3
- rdkit >=2025
- scikit-learn >=1.5
- tomli
- tomli-w
- typing-extensions