Lego-bricks and infrastructure for your own computational chemistry model

Have an idea for a new model and are looking for the right tool? Try MLatom. Because MLatom is easy to use to create new models, it has an impressive collection of rapidly growing number of models. And your model can be there too!

Model by itself is useless. You surely want to use it in simulations and MLatom provides you with the right infrastructure where you can easily plug in your model.

MLatom provides you not just with many lego-bricks (both ML models and quantum chemical methods) but also with the powerful and intuitive tools to glue them together in arbitrarily complex workflows!

How to do all of this, is described in our online tutorial.Please check out the hands-on online mini-course Modern AI and computational chemistry by Prof. Pavlo O. Dral.