RESEARCH ARTICLE · Journal of Chemical Information and Modeling · 2026
molSimplify 2.0: Improved Structure Generation for Automating Discovery in Inorganic Molecular and Reticular Chemistry
Gianmarco Terrones, Roland G. St. Michel, Jacob Toney, Akash Ball, Yiran Wang, Aaron G. Garrison, Aditya Nandy, Ralf Meyer, Freya Edholm, Changhwan Oh, Sebastian G. Pujet, Daniel B. K. Chu, Davut Muhammetgulyyev, Heather J. Kulik
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