Transition state search and analysis with MLatom@XACS

Check out our tutorial on how to run TS geometry optimizations and also analysis (freq and IRC) with MLatom@XACS.
We demonstrate on an example of the Diels–Alder reaction how to use fast GFN2-xTB and AIQM1 methods providing reasonable TS geometries and also other methods such as DFT and ML models.
Let us know if you have any questions via Slack or email!