Downloads in the 30 and 7 days to October 10, 2026. Refreshed weekly.
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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
- cclib >=1.6
- gpy >=1.9
- hyperopt >=0.1.1
- joblib >=1.3.0
- numpy >=1.7
- pandas >=0.24
- qcelemental >=0.27.1
- qcengine >=0.26.0
- scikit-learn >=0.20
- torch >=1.0.1
6 optional dependencies
-
numpydoc[docs]extra == "docs"
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pytest-cov[tests]extra == "tests"
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sphinx==1.2.3[docs]extra == "docs"
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sphinx-book-theme[docs]extra == "docs"
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sphinx-copybutton[docs]extra == "docs"
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sphinxcontrib-napoleon[docs]extra == "docs"