License Agreement for MLatom 2.1

Pavlo O. Dral, Peikun Zheng, Bao-Xin Xue, Fuchun Ge, Yi-Fan Hou, Max Pinheiro Jr, MLatom: A Package for Atomistic Simulations with Machine Learning, version 2.1. Xiamen University, Xiamen, China, 2013–2021

Copyright (c) 2013-2021 Dr. Pavlo O. Dral (

All rights reserved. This work is licensed under the Attribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0) license.

The above copyright notice and this permission notice shall be included in all copies or substantial portions of the Software.

The software is provided “as is”, without warranty of any kind, express or implied, including but not limited to the warranties of merchantability, fitness for a particular purpose and on infringement. In no event shall the authors or copyright holders be liable for any claim, damages or other liability, whether in an action of contract, tort or otherwise, arising from, out of or in connection with the software or the use or other dealings in the software.

The users must cite the program in any published work using results obtained with MLatom as:

In addition to above citations in the published work, the users have to cite the relevant literature for the MLatom features used. Examples of suggested citations are provided on page in form of web links and in the output of MLatom.