This app is still under early testing and not really for use outside of the Warren Lab
The CLEASE App¶
From their webpage: CLuster Expansion in Atomic Simulation Environment (CLEASE) is a package that automates the cumbersome setup and construction procedure of cluster expansion (CE). It provides a comprehensive list of tools for specifying parameters for CE, generating training structures, fitting effective cluster interaction (ECI) values and running Monte Carlo simulations.
The code is free and open-source.