Python is used quite a bit in quantum chemistry for analysis and even method development, but there are few resources for discovery. These are Jupyter notebooks that work through examples of how Python is used in quantum chemistry.

If you're wondering what order these should be worked through, here's the current assumed path:

• Reading QM outputs
• Using cclib
• Plotting
• Frequency Calculations

Currently, this is only tested using Python 3.4.

If there's something you'd like to see, send me a pull request or add an issue!