iqspr (version 2.3)

Inverse Molecular Design

Description

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.

Copy Link

Version

Down Chevron

Install

install.packages('iqspr')

Monthly Downloads

12

Version

2.3

License

MIT + file LICENSE

Last Published

August 1st, 2017

Functions in iqspr (2.3)