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@Reecy-Z Reecy-Z released this 08 Oct 03:00

Software for TMC-LewisGen: Automated Generation of Lewis-like Structures for Transition–Metal Complexes.

https://doi.org/10.1021/acs.jcim.6c02278

This version adds the CBC-informed TMC-BE electron matrix to Lewis-engine-ILP.py and the Streamlit app, and only promotes chelating oxygen across a carbon-only backbone.