Tag: cheminformatics 5 packages with this tag
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Package Description Version
chemdoodle cask 2D chemical drawing, publishing and informatics 12.10.0
coordgen formula Schrodinger-developed 2D Coordinate Generation 3.0.2
ibabel cask GUI for the cheminformatics toolkit OpenBabel 5.0.3,2023,02
inchi formula IUPAC International Chemical Identifier
open-babel formula Chemical toolbox 3.1.1