A collection of scikit-learn compatible utilities that implement methods developed in the COSMO laboratory
pip install https://github.com/cosmo-epfl/scikit-cosmoYou can then import skcosmo in your code!
Start by installing the development dependencies:
pip install tox black flake8Then this package itself
git clone https://github.com/cosmo-epfl/scikit-cosmo
cd scikit-cosmo
pip install -e .This install the package in development mode, making is importable globally
and allowing you to edit the code and directly use the updated version.
cd <scikit-cosmo PATH>
# run unit tests
tox
# run the code formatter
black --check .
# run the linter
flake8You may want to setup your editor to automatically apply the black code formatter when saving your files, there are plugins to do this with all major editors.
This project is distributed under the BSD-3-Clauses license. By contributing to it you agree to distribute your changes under the same license.