Cheminformatics formulae for the Homebrew package manager.
Some cheminformatics toolkits are notoriously hard to build from scratch, so I put together these Homebrew formulae to make things easier.
If you don’t already have homebrew, installation is simple:
/usr/bin/ruby -e "$(curl -fsSL https://raw.githubusercontent.com/Homebrew/install/master/install)"
Then you can install anything you want using
To get the cheminformatics formulae, you first need to “tap” the repository:
brew tap mcs07/cheminformatics
Then simply use
brew install inchibrew install opsinbrew install indigobrew install rdkitbrew install osra