MOFSimplify

MOFSimplify is an open source website for testing the thermal and activation stabilities of metal organic frameworks (MOFs). This website accepts uploads of computational or experimental MOF CIF files, and use those CIF files to make predictions on activation or thermal stability. Activation and thermal stability models are trained from data text mined from the experimental MOF literature using natural language processing (NLP). The goal of this work is to accelerate the computational discovery of metal organic frameworks (MOFs) that are thermally stable and stable upon activation.