The best features to know when you first meet a material

A new focus in material science pairs computational material databases with machine learning (ML) techniques to predict new materials. One of the key challenges in predicting properties of materials, such as formation enthalpy, is identifying important features to include in the ML model. We aim to build an ML model capable of reproducing the formation enthalpy of all materials in the AFLOWlib repository. In regards to this, we analyze the important input features that enable successful learning.