A number of different methods can be used to run the CatLearn code.


  • ase
  • h5py
  • networkx
  • numpy
  • pandas
  • scikit-learn
  • scipy
  • tqdm

Installation using pip

The easiest way to install CatLearn is with:

$ pip install catlearn

This will automatically install the code as well as the dependencies.

Installation from source

To get the most up-to-date development version of the code, you can clone the git repository to a local directory with:

$ git clone

And then put the <install_dir>/ into your $PYTHONPATH environment variable. If you are using Windows, there is some advice on how to do that here.

Be sure to install dependencies in with:

$ pip install -r requirements.txt