Material_Informatics

Basic components to perform material informatics: modeling (GPR, KRR, XGB, NN, RF, linear, and ensemble learning of them), backward prediction, multi target screening, etc.

SciGlass-Pandas

Code to use the SciGlass database in the original styled tables. It makes easy to link composition, property, and source data.

Multi-objective_optimization

Find Pareto front using PHYSBO. This example targets 3 glass properties at the same time with visuals like a responsive surface.

DOE_and_adaptive_DOE

Scripts to use Bayesian optimization for dynamic design of experiments (DOE) assuming the real situation.