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Dependencies
- ase >=3.23
- decorator
- einops >=0.6.1
- fire >=0.5.0
- frozendict >=2.3.7
- hydromace >=0.2
- mace-models >=0.1.2
- mace-torch >=0.3.9
- typer >=0.13
- zndraw >=0.5.7
- znframe
1 optional dependencies
- rdkit[all]