Downloads in the 30 and 7 days to October 10, 2026. Refreshed weekly.
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Dependencies
- cclib <2,>=1.7
- networkx <4,>=3.0
- numpy <3,>=1.20
- plams ==1.5.1
- pydantic >=2.5
- rdkit >=2022.9.1
- scipy <2,>=1.8
-
tomli
>=2.0.1
python_version < "3.11"
-
typing-extensions
>=4.12
python_version < "3.13"
9 optional dependencies
-
chemtrayzer[dev-no-plumed]extra == "dev-no-plumed"
-
chemtrayzer[dev]extra == "dev"
-
myst-parser[doc]extra == "doc"
-
pytest<8,>=7.1.2[dev-no-plumed]extra == "dev-no-plumed"
-
ruff>=0.6.0[dev-no-plumed]extra == "dev-no-plumed"
-
somesy>=0.6.0[dev-no-plumed]extra == "dev-no-plumed"
-
somesy>=0.6.0[doc]extra == "doc"
-
sphinx<7.0[doc]extra == "doc"
-
sphinx-rtd-theme[doc]extra == "doc"