2024-01-24
In this tutorial we show how to calculate frequencies of molecules with MLatom.
2024-01-19
We have released the version 3.1.1 of MLatom with improvements in the performance and bug fixes.
2024-01-18
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.
2024-01-10
We have just released the MLatom 3.1.0 version with MACE and show how to use it here.
2024-01-03
You can watch a short video demonstrating how to install