iqspr: Inverse Molecular Design

Autonomous generation of novel organic compounds with target physicochemical properties initially constrained by the user. This package has the ambition to become an unavoidable tool in the innovation of novel materials and/or drugs with specific target properties.

Package details

AuthorGuillaume Lambard [aut, cre], Hisaki Ikebata [cre], Ryo Yoshida [cre]
MaintainerGuillaume Lambard <>
LicenseMIT + file LICENSE
Package repositoryView on CRAN
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iqspr documentation built on Aug. 1, 2017, 9:02 a.m.