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
- ase
- cclib
- ipywidgets
- matplotlib
- networkx
- numpy
- openbabel-wheel >=3.1.1
- py3dmol
- rdkit >=2021.03.1
- scipy
12 optional dependencies
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docformatter[dev]extra == "dev"
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mypy[dev]extra == "dev"
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nbmake[dev]extra == "dev"
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pre-commit[dev]extra == "dev"
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pydata-sphinx-theme[docs]extra == "docs"
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pydoclint[dev]extra == "dev"
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pydocstyle[dev]extra == "dev"
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pytest[dev]extra == "dev"
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pytest-cov[dev]extra == "dev"
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ruff[dev]extra == "dev"
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sphinx[docs]extra == "docs"
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sphinx-favicon[docs]extra == "docs"