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Releases: hsuhsuanhao/MARS

MARS v 1.0.0

15 Jun 15:31
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MARS, Molecular Assembling and Representation Suite, is a program for
general-purpose computer-aided molecular design. This program uses arrays of
integers as the data structure to store the information of types of the constituent atoms,
molecular connectivity (i.e. bond orders). There are also subroutines that can be used to modify the data structure in order to
generate new molecules. This program is especially useful for
computer molecular design (CAMD) problems.