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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((week_daily_avg - month_daily_avg) / month_daily_avg) * 100More insights and metrics
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Dependencies
21 optional dependencies
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build[dev]extra == "dev"
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jax[jax]extra == "jax"
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jax[all]extra == "all"
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jaxlib[all]extra == "all"
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jaxlib[jax]extra == "jax"
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mkdocs-material[docs]extra == "docs"
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openmm[all]extra == "all"
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openmm[dev]extra == "dev"
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openmm[openmm]extra == "openmm"
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parmed[amber]extra == "amber"
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parmed[all]extra == "all"
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parmed[dev]extra == "dev"
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pytest[dev]extra == "dev"
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qcelemental[all]extra == "all"
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qcelemental[dev]extra == "dev"
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qcelemental[qcel]extra == "qcel"
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ruff[dev]extra == "dev"
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scipy[all]extra == "all"
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scipy[dev]extra == "dev"
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scipy[jax]extra == "jax"
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scipy[optimize]extra == "optimize"