1. Introduction to Python
  2. Molecules in Python
  3. Calculating descriptors for lists of molecules using RDKit.
  4. MatPlotLib introduction.
  5. Boettcher complexity index calculation; beta version. Since we are still seeing some (small) discrepancies between expected and calculated values, we direct you to the Forli lab calculator.
  6. Shapes of molecules. Calculating Principal Moments of Inertia and Plane of Best Fit as numerical descriptors of the overall shape of moelcules.