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
- e3nn
- molflux >=0.5.0
- torch-geometric >=2.5.0
- torchani !=2.2.4
27 optional dependencies
-
ase[docs]extra == "docs"
-
ase[ase]extra == "ase"
-
coverage[tests]extra == "tests"
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coverage-badge[tests]extra == "tests"
-
h5py[tests]extra == "tests"
-
ipywidgets[docs]extra == "docs"
-
jupytext>=1.11.2[docs]extra == "docs"
-
matplotlib[docs]extra == "docs"
-
mypy[typing]extra == "typing"
-
myst-nb[docs]extra == "docs"
-
nox[dev]extra == "dev"
-
openeye-toolkits[openeye]extra == "openeye"
-
pre-commit[dev]extra == "dev"
-
pytest[tests]extra == "tests"
-
rdkit>=2023.9.1[docs]extra == "docs"
-
rdkit[rdkit]extra == "rdkit"
-
rdkit[openmm]extra == "openmm"
-
rdkit[ase]extra == "ase"
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sphinx!=5.1.0[docs]extra == "docs"
-
sphinx-book-theme[docs]extra == "docs"
-
sphinx-design[docs]extra == "docs"
-
sphinx-inline-tabs[docs]extra == "docs"
-
sphinx-sitemap[docs]extra == "docs"
-
sphinx-togglebutton[docs]extra == "docs"
-
sphinx-toolbox[docs]extra == "docs"
-
types-pyyaml[typing]extra == "typing"
-
types-setuptools[typing]extra == "typing"