Rapid Design of Top-Performing Metal-Organic Frameworks with Qualitative Representations of Building Blocks Authors: Yigitcan Comlek, Thang Duc Pham, Randall Q. Snurr, Wei Chen*
*Corresponding Author: Dr. Wei Chen (weichen@northwestern.edu)
This folder contains the MATLAB code for the Latent Variable Gaussian Process - Multi-Objective Bayesian Optimization (LVGP-MOBBO) framework.
MAIN.m file contains the necessary code to run the framework.
LVGP folder contains the necessary files for the LVGP modeling
MOBBO folder contains the necesaary files for MOBBO
data folder contains the data used in this study