ml_catalysis_tutorials

This is a jupyter book repo for tutorial on how to use OCP ML models for catalysis. Most of the current tutorials were adapted from the MIT-licensed OCP CCAI and other tutorials at https://github.com/Open-Catalyst-Project/ocp/tree/main/tutorials

You can find the resulting jupyter book hosted here: https://ulissigroup.cheme.cmu.edu/ml_catalysis_tutorials/intro.html