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Dependencies
- ase
- cloudpickle
- gemmi ==0.7.0
- juliacall
- matminer
- mendeleev
- mofclassifier ==0.1.1
- molsimplify ==1.8.0
- networkx
- pacman-charge
- phonopy
- pymatgen
- requests
- scikit-learn ==1.3.2
- selfies
- xgboost
2 optional dependencies
- openbabel-wheel[openbabel]
- zeopp-lsmo[zeopp]