R based Tutorials

For running the R tutorials, first create a folder in your home directory with these sample data files. Inside that folder, create a subfolder named NAMS where the contents of the all-in-one package should be dropped. [NOTE: if not using Windows, please make sure that a compatible binary has been built for your platform and placed in the same directory of the Python files]

It is recommended that RStudio is used for running the Tutorials, but any R installation should be enough. Some libraries might be required for running the tutorials

The Tutorials

• NAMS Without Tears - a very simple introduction to running NAMS within R. The bases of molecular similarity and analysis are provided
• Molecular analysis using NAMS - A more ellaborate tutorial where some elements of topological analysis for exploring the molecular space are given