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
27 optional dependencies
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ase[structures]extra == "structures"
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ase[all-fingerprints]extra == "all-fingerprints"
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botorch[bo]extra == "bo"
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build[dev]extra == "dev"
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deepchem[all-fingerprints]extra == "all-fingerprints"
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deepchem[deep]extra == "deep"
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dscribe[all-fingerprints]extra == "all-fingerprints"
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dscribe[structures]extra == "structures"
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ipykernel[dev]extra == "dev"
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jarvis-tools[jarvis]extra == "jarvis"
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jarvis-tools[all-fingerprints]extra == "all-fingerprints"
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matminer[all-fingerprints]extra == "all-fingerprints"
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matminer[materials-extra]extra == "materials-extra"
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mendeleev[materials-extra]extra == "materials-extra"
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mendeleev[all-fingerprints]extra == "all-fingerprints"
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mkdocs[docs]extra == "docs"
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mkdocs-material[docs]extra == "docs"
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mkdocstrings[docs]extra == "docs"
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mordredcommunity[molecular-extra]extra == "molecular-extra"
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mordredcommunity[all-fingerprints]extra == "all-fingerprints"
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nbconvert[dev]extra == "dev"
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nbformat[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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shap[examples]extra == "examples"
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twine[dev]extra == "dev"