atomate2

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Author: None
License: modified BSD
Summary: atomate2 is a library of materials science workflows
Latest version: 0.0.23
Required dependencies: calorine | click | custodian | emmet-core | jobflow | monty | numpy | pydantic | pydantic-settings | pymatgen | pymongo | pyyaml | quippy-ase | tblite
Optional dependencies: abipy | amset | ase | atomate2 | autodoc_pydantic | calorine | cclib | chgnet | deepmd-kit | dscribe | fireworks | furo | ijson | ipython | jsonschema | jupyterlab | lobsterpy | mace-torch | matgl | mdanalysis | monty | mp-api | myst_parser | nbmake | numpy | numpydoc | openmm | openmm-mdanalysis-reporter | phonopy | pre-commit | pydash | pymatgen | pymatgen-analysis-defects | pymatgen-analysis-diffusion | pymatgen-io-aims | pytest | pytest-cov | pytest-mock | pytest-split | pytest-xdist | python-ulid | seekpath | sevenn | sphinx | sphinx-copybutton | sphinx_design | tensorflow-cpu | torch | torchdata

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