We have just released the MLatom 3.1.0 version with MACE and show how to use it here.

Recently, Sason Shaik from Hebrew University and coworkers applied the valence bond theory to the study of nine hydrogen bond systems.

You can watch a short video demonstrating how to install

Here we want to share with you the overview of the main news and upgrades.

which allows saving the VB wavefunction in the WFN format for further analysis.