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
- numpy >=2.0
7 optional dependencies
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ase>=3.22.1[ase]extra == "ase"
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myst-parser[docs]extra == "docs"
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pytest[dev]extra == "dev"
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pytest-cov[dev]extra == "dev"
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rdkit>=2025.9.2[rdkit]extra == "rdkit"
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shibuya[docs]extra == "docs"
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sphinx>=8.2.3[docs]extra == "docs"