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Dependencies
- dm-tree >=0.1.8
- jaxtyping >=0.3.2
- loguru
- numpy
- nvalchemi-toolkit-ops >=0.3.1
- periodictable ==2.0.2
- plum-dispatch >=2.5.7
- pydantic >=2.11.7
- rich >=13.0.0
- tensordict >=0.11.0
- torch >=2.5.1
- zarr >=3
6 optional dependencies
- aimnet[aimnet]
- ase[ase]
- cuequivariance-ops-torch-cu12[mace]
- cuequivariance-torch[mace]
- mace-torch[mace]
- pymatgen[pymatgen]