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Dependencies
- attrs
- biopython
- edgembar
- hatch >=1.14.1
- ligandparam
- mdanalysis
- networkx
- numpy <2
- parmed
- pydot
- pyyaml
- scipy
- typing-extensions
- zstandard >=0.23.0
25 optional dependencies
- boto3[aws]
- boto3[all]
- fastmcp[all]
- fastmcp[dev]
- furo[docs]
- furo[all]
- myst-parser[docs]
- myst-parser[all]
- ruff[all]
- ruff[dev]
- scipy-stubs[all]
- scipy-stubs[dev]
- sphinx[all]
- sphinx[docs]
- sphinx-autobuild[all]
- sphinx-autobuild[docs]
- sphinx-automodapi[all]
- sphinx-automodapi[docs]
- sphinx-copybutton[all]
- sphinx-copybutton[docs]
- sphinx-inline-tabs[docs]
- sphinx-inline-tabs[all]
- sphinx-rtd-theme[all]
- sphinx-rtd-theme[docs]
- watpocket[watpocket]