Machine learning for computational materials science and chemistry with MALA

This tutorial will give you an overview of how to use the Materials Learning Algorithm (MALA) package to yield the power of machine learning for computational tasks within materials science and chemistry It is meant to be used in combination with a basic ML introduction (e.g. https://github.com/GDS-Education-Community-of-Practice/DSECOP/tree/main/Learning_the_Schrodinger_Equation). The main content can be found in the notebook included in this repository.