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
- attrs
- biopython
- chemfiles
- edgembar
- hatch >=1.14.1
- ligandparam
- mdanalysis
- networkx
- numpy <2
- parmed
- pdbfixer >=1.11.0
- pydot
- pyyaml
- rdkit
- scipy
- typing-extensions
- zstandard >=0.23.0
31 optional dependencies
-
boto3[aws]extra == "aws"
-
boto3[all]extra == "all"
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fastmcp[all]extra == "all"
-
fastmcp[dev]extra == "dev"
-
furo>=2025.7.19[docs]extra == "docs"
-
furo>=2025.7.19[all]extra == "all"
-
myst-parser>=4.0.1[docs]extra == "docs"
-
myst-parser>=4.0.1[all]extra == "all"
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plotly[ana]extra == "ana"
-
plotly[all]extra == "all"
-
prolif[all]extra == "all"
-
prolif[ana]extra == "ana"
-
pytest-xdist[dev]extra == "dev"
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pytest-xdist[all]extra == "all"
-
ruff>=0.12.8[all]extra == "all"
-
ruff>=0.12.8[dev]extra == "dev"
-
scipy-stubs[all]extra == "all"
-
scipy-stubs[dev]extra == "dev"
-
sphinx>=8.2[all]extra == "all"
-
sphinx>=8.2[docs]extra == "docs"
-
sphinx-autobuild>=2024[all]extra == "all"
-
sphinx-autobuild>=2024[docs]extra == "docs"
-
sphinx-automodapi[all]extra == "all"
-
sphinx-automodapi[docs]extra == "docs"
-
sphinx-copybutton>=0.5[all]extra == "all"
-
sphinx-copybutton>=0.5[docs]extra == "docs"
-
sphinx-inline-tabs>=2023[docs]extra == "docs"
-
sphinx-inline-tabs>=2023[all]extra == "all"
-
sphinx-rtd-theme>=3[all]extra == "all"
-
sphinx-rtd-theme>=3[docs]extra == "docs"
-
watpocket>0.1.6[watpocket]extra == "watpocket"