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Dependencies
- ase >=3.22.1
- brotli >=1.0.9
- click >=7.1.2
- h5py >=3.9.0
- keras >=3.0.2
- keras-tuner >=1.1.3
- matplotlib >=3.6.0
- networkx >=2.8.8
- numpy >=1.23.0
- pandas >=1.5.2
- pymatgen >=2022.11.7
- pyxtal >=0.6.4
- pyyaml >=6.0
- rdkit >=2022.9.2
- requests >=2.28.1
- scikit-learn >=1.1.3
- scipy >=1.9.3
- sympy >=1.11.1
1 optional dependencies
- openbabel[openbabel]