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Dependencies
- ase >=3.24.0
- ase-db-backends
- cloudpickle >=3.1.1
- e3nn-jax >=0.20.8
- equinox >=0.11.11
- h5py >=3.14.0
- jax >=0.4.34
- jraph >=0.0.6.dev0
- matscipy >=1.1.1
- optax >=0.2.5
- pyyaml >=6.0.2
- tqdm >=4.67.1
- wandb >=0.19.11
- wandb-osh >=1.2.2
13 optional dependencies
- e3nn[torch]
- e3nn[torch-sim]
- openequivariance[torch-sim]
- openequivariance[torch]
- openequivariance[oeq]
- phonopy[pft]
- setuptools[torch]
- setuptools[torch-sim]
- torch[torch]
- torch[torch-sim]
- torch-geometric[torch-sim]
- torch-geometric[torch]
- torch-sim-atomistic[torch-sim]