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10 optional dependencies
- cuequivariance-ops-torch-cu12[mace]
- mace-torch[mace]
- matplotlib[dev]
- mdtraj[mmtools]
- numba[mmtools]
- openmm[dev]
- orb-models[orb]
- pymbar[mmtools]
- sphinx[dev]
- sphinx-rtd-theme[dev]