MLatom is a package for atomistic simulations with machine learning. It is an open-source software free for noncommercial uses such as academic research and education. MLatom is a part of XACS (Xiamen Atomistic Computing Suite) since 2022 and you can use MLatom @ XACS cloud computing service.

MLatom was founded by Pavlo O. Dral on 10 September 2013. Pavlo continues to develop and supervise the development of the package.


Developers in chronological order and their main contributions: