PyKale requires Python 3.7, 3.8, or 3.9. Before installing pykale, you should
manually install PyTorch matching your hardware first,
If RDKit will be used, you need to install it via
conda install -c conda-forge rdkit.
Install PyKale using
pip for the stable version:
pip install pykale # for the core API only
Install from source
Install from source for the latest version and/or development:
git clone https://github.com/pykale/pykale cd pykale pip install . # for the core API only pip install -e .[dev] # editable install for developers including all dependencies and examples
PyKale provides six installation options for different user needs:
pip install pykalefor essential functionality
pip install pykale[graph]for graph-related functionality (e.g., TDC)
pip install pykale[image]for image-related functionality (e.g., DICOM)
pip install pykale[example]for examples and tutorials
pip install pykale[full]for all functionality, including examples and tutorials
pip install pykale[dev]for development, including all functionality, examples, and tutorials
Multiple options can be chosen by separating them with commas (without whitespace). See examples below.
pip install pykale[graph,example] pip install pykale[graph,image] pip install pykale[graph,image,example]
For local unit tests on all
kale API, you need to have PyTorch, PyTorch Geometric, and RDKit installed (see the top) and then run pytest at the root directory:
You can also run pytest on individual module (see pytest documentation).