Downloads in the 30 and 7 days to October 10, 2026. Refreshed weekly.
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The current version has no OSV.dev malware reports and no critical or high-severity vulnerabilities.
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Dependencies
- adjusttext
- basis-set-exchange
- cclib <2,>=1.7.1
- colour-science
- configurables
- deepmerge
- dill
- matplotlib
- openprattle
- periodictable
- pillow
- pyyaml
- rdkit
- scipy
4 optional dependencies
-
bayesian-optimization[test]extra == "test"
-
pyscf[test]extra == "test"
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pytest[test]extra == "test"
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pytest-lazy-fixture[test]extra == "test"