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Dependencies
- ase
- chardet >=5.2.0
- dscribe >=2.1
- igraph >=0.11
- networkx >=3.3
- numba >=0.61
- numpy >=2.0
- numpydantic
- pandas
- pydantic >=2.11
- pydantic-to-pyarrow >=0.1.6
- pymatgen >2023.6
- python-snappy >=0.7.3
- pyyaml
- rdkit >=2025
- rustworkx >=0.16
- scikit-learn >=1.5
- scipy
- sparse
- sqlmodel
- tomli
- tomli-w
- torch
- torch-geometric
- typing-extensions
- vesin