This repository contains examples to generate virtual chemical spaces from a list of chemical transformations and building blocks dependencies: openchemlib (https://github.com/Actelion/openchemlib) https://repo1.maven.org/maven2/com/actelion/research/openchemlib version 8.2 or newer
jir322/Virtual-Fragment-Spaces
This repository contains examples to generate virtual chemical spaces from a list of chemical transformations and building blocks
Java