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
- numpy <3,>=1.26
- rdkit <2026,>=2025.9.1
-
tomli
>=2.0.1
python_version < "3.11"
- torch <3,>=2.5
- torch-geometric <3,>=2.6
13 optional dependencies
-
build>=1.2[dev]extra == "dev"
-
furo>=2024.8[docs]extra == "docs"
-
jupyter>=1.0[examples]extra == "examples"
-
matplotlib>=3.8[examples]extra == "examples"
-
pip-audit>=2.7[dev]extra == "dev"
-
pre-commit>=4[dev]extra == "dev"
-
pytest>=8[dev]extra == "dev"
-
pytest-cov>=6[dev]extra == "dev"
-
ruff>=0.8[dev]extra == "dev"
-
scikit-learn>=1.5[examples]extra == "examples"
-
sphinx>=7[docs]extra == "docs"
-
sphinx-autodoc-typehints>=2[docs]extra == "docs"
-
sphinx-copybutton>=0.5[docs]extra == "docs"