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Dependencies
- ase
- braceexpand
- e3nn >=0.5.0
- matscipy
- ninja
- numpy
- pandas
- pyyaml
- requests
- scikit-learn
- setuptools >=61.0
- torch-geometric >=2.5.0
- tqdm
9 optional dependencies
- cuequivariance[cueq12]
- cuequivariance-ops-torch-cu12[cueq12]
- cuequivariance-torch[cueq12]
- cupy-cuda12x[mliap]
- cython[mliap]
- ipython[test]
- pytest[test]
- pytest-cov[test]
- torch-sim-atomistic[torchsim]