The capabilities of MLatom 3 are described in the paper published in the J. Chem. Theory Comput. which was converted into an interactive online manual. See also the video overview.
MLatom@XACS team introduced how to use machine learning in chemistry in the CECAM Machine Learning and Quantum Computing for Quantum Molecular Dynamics [MLQCDyn] school. This school aimed at offering state-of-the-art training in quantum molecular dynamics (QMD), machine learning (ML), and quantum computing (QC) to early-stage …
Tutorial on ML in CECAM school MLQCDyn featuring MLatom@XACS Read more »
My book chapter shows in a tutorial way how to use machine learning to assist quantum chemistry research.