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
16 optional dependencies
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ipykernel>=6.0[jupyter]extra == "jupyter"
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ipykernel>=6.0[all]extra == "all"
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jupyter-client>=7.0[jupyter]extra == "jupyter"
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jupyter-client>=7.0[all]extra == "all"
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matplotlib>=3.5[plot]extra == "plot"
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matplotlib>=3.5[all]extra == "all"
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openmm>=8.0[all]extra == "all"
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openmm>=8.0[md]extra == "md"
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rdkit>=2024.0[all]extra == "all"
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rdkit>=2024.0[bio]extra == "bio"
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scipy>=1.9[sci]extra == "sci"
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scipy>=1.9[all]extra == "all"
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torch-geometric>=2.7[all]extra == "all"
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torch-geometric>=2.7[ml]extra == "ml"
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xarray>=2024.0[all]extra == "all"
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xarray>=2024.0[geo]extra == "geo"