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Dependencies
- ase >=3.17.0
- jarvis-tools >=2023.12.12
- mat3ra-esse >=2026.3.25.post0
- numpy <2,>=1.24.4
- pymatgen >=2023.8.10
4 optional dependencies
- coverage[tests]
- express-py[all]
- pyyaml[tests]
- rdkit[extra]