This research highlight showcases the application of GKS-EDA method from the XEDA@XACS software package in elucidating the role of non-covalent interactions in chemical reactions.

This tutorial shows how to run molecular dynamics with MLatom.

In this tutorial we show how to calculate frequencies of molecules with MLatom.

We have released the version 3.1.1 of MLatom with improvements in the performance and bug fixes.

In this tutorial, we show how to optimize molecular geometries with MLatom. Here, only the optimization of the minima is shown and the optimization of the transition states will be shown elsewhere.