Please use the following reference for the current version of MLatom:
Pavlo O. Dral, MLatom: A Package for Atomistic Simulations with Machine Learning, developmental version 0.92, revision 102. Max-Planck-Institut für Kohlenforschung, Mülheim an der Ruhr, Germany, 2013–2018. http://MLatom.com.
Please also cite the relevant literature for the features you used. Examples of suggested citations are provided on Features page in form of web links.