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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.
Getting started
Browse package contents
Package details |
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| Author | Guillaume Lambard [aut, cre], Hisaki Ikebata [cre], Ryo Yoshida [cre] |
| Maintainer | Guillaume Lambard <lambard@ism.ac.jp> |
| License | MIT + file LICENSE |
| Version | 2.3 |
| Package repository | View on CRAN |
| Installation |
Install the latest version of this package by entering the following in R:
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