molSimplify 2.0: Improved Structure Generation for Automating Discovery in Inorganic Molecular and Reticular Chemistry.

Thu, 01 Jan 2026 00:00:00 +0100

Gianmarco G. Terrones , Roland G. St. Michel , Jacob W. Toney , Akash K. 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 :
molSimplify 2.0: Improved Structure Generation for Automating Discovery in Inorganic Molecular and Reticular Chemistry. J. Chem. Inf. Model. 66(5): 2753-2767 (2026)