Molassembler: Molecular Graph Construction, Modification, and Conformer Generation for Inorganic and Organic Molecules

Jan-Grimo Sobez, Markus Reiher. Molassembler: Molecular Graph Construction, Modification, and Conformer Generation for Inorganic and Organic Molecules. Journal of Chemical Information and Computer Sciences, 60(8):3884-3900, 2020. [doi]

Abstract

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