tace

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Author: None
Summary: TACE - Irreducible Cartesian Tensor based equivariant atomistic model.
Latest version: 0.1.0
Required dependencies: ase | configargparse | e3nn | huggingface_hub | hydra-core | lightning | lmdb | matscipy | numpy | omegaconf | pandas | scipy | torch | torch_geometric
Optional dependencies: ase | ase_db_backends | black | cmaes | configargparse | cotengra | cuequivariance | cuequivariance-ops-torch-cu12 | cuequivariance-ops-torch-cu13 | cuequivariance-torch | cupy-cuda12x | cython | isort | lammps | matcalc | matminer | matscipy | mdanalysis | mdtraj | myst-parser | nevergrad | openequivariance | openmm | openmm-ml | openmmtorch | optuna | pandas | pre-commit | pydata-sphinx-theme | pymatgen | pymatviz | scikit-learn | sphinx | sphinx-copybutton | tidynamics | tomli | torch-sim-atomistic | torch_dftd | umap-learn | vesin | vtk

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