molSimplify

Massachusetts Institute of Technology (MIT) / United States

Application Areas

Energy

About

molSimplify is an open source python toolkit for automating the construction and computational discovery of transition metal complexes. molSimplify is freely available on GitHub, conda, and docker. An online interface can be accessed at molsimplify.mit.edu

Research purpose

Lab Equipment

AC Members

Heather J. Kulik
Kulik
MIT

Publications

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