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Coordgenlibs
Jul 20, 2023
Schrodinger-developed 2D coordinate generation
This is Schrodinger, Inc’s 2D coordinate generation. The emphasis of these algorithms are on quality of 2D coordinates rather than speed of generation. The algorithm distinguishes itself from many others by doing well with both macrocycles and metal complexes. It also does extremely well on typical drug-like small molecules, and has been validated on millions of compounds.
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