Gryffin: An algorithm for Bayesian optimization for categorical variables informed by physical intuition with applications to chemistry
Gryffin is an open source algorithm which implements Bayesian optimization for categorical variables and mixed categorical-continuous parameter domains [1].
... this repository is under construction ... please stay tuned!
Gryffin can be installed from source.
git clone https://github.com/aspuru-guzik-group/gryffin.git
cd gryffin
python setup.py install
[1] Häse, F., Roch, L.M. and Aspuru-Guzik, A., 2020. Gryffin: An algorithm for Bayesian optimization for categorical variables informed by physical intuition with applications to chemistry. arXiv preprint arXiv:2003.12127.