MOLSIMPLIFY

molSimplify is an open source, Python-based utility created to facilitate high-throughput screening of transition metal complexes (TMCs). Within the Kulik group, we are constantly working to improve molSimplify and expand its capabilities... molSimplify Lite is an online interface to molSimplify, an open source, Python-based utility created by the Kulik group at MIT for the Machine-Learning accelerated generation, prediction, and design of transition metal (coordination) complexes.