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Dependencies
- joblib >=1.4.2
- numpy >=1.26.4
- rdkit >=2023.9.6
- scikit-learn >=1.5.0
- scikit-learn-extra >=0.3.0
- scipy >=1.13.1
- typing-extensions >=4.12.1
- umap-learn >=0.5.6
12 optional dependencies
- coverage[dev]
- ipykernel[dev]
- matplotlib[dev]
- myst-parser[dev]
- pre-commit[dev]
- pyright[dev]
- pytest[dev]
- rdkit-stubs[dev]
- sphinx[dev]
- sphinxcontrib-serializinghtml[dev]
- sphinx-rtd-theme[dev]
- twine[dev]