Downloads in the 30 and 7 days to October 10, 2026. Refreshed weekly.
Package Information
No reported malware or high/critical advisories · Details
The current version has no OSV.dev malware reports and no critical or high-severity vulnerabilities.
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Dependencies
- attrs
- cattrs
- joblib
- numba >=0.66
- numpy >=1.23
- ordered-set
- pandas >=2.0
- pymatgen
- pyyaml
- sortedcontainers
- sympy
- typing-extensions
13 optional dependencies
-
ase[doc]extra == "doc"
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ase-stubs[test]python_version < "3.12" and extra == "test"
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mypy[test]extra == "test"
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pandas-stubs[test]extra == "test"
-
pylint[test]extra == "test"
-
pyscf[test]extra == "test"
-
pyscf[doc]extra == "doc"
-
pytest[test]extra == "test"
-
pytest-cov[test]extra == "test"
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ruff[test]extra == "test"
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sphinx-rtd-theme[doc]extra == "doc"
-
sphinxcontrib-bibtex[doc]extra == "doc"
-
types-simplejson[test]extra == "test"