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| Dependency | Optional | Group |
|---|---|---|
| autograd | false | |
| dask | false | |
| distributed | false | |
| fabric | false | |
| h5py | false | |
| jax | false | |
| jinja2 | false | |
| matplotlib | false | |
| natsort | false | |
| networkx | false | |
| numba | false | |
| numpy | false | |
| optuna | false | |
| pandas | false | |
| psutil | false | |
| pyyaml | false | |
| rmsd | false | |
| scikit-learn | false | |
| scipy | false | |
| sympy | false | |
| ase | true | test |
| pyscf | true | test |
| pytest | true | test |
| pytest-cov | true | test |
| qcengine | true | test |
| sphinx | true | doc |
| sphinx_autodoc_typehints | true | doc |
| sphinx-rtd-theme | true | doc |
| trexio | true | full |
| ursina | true | full |