Quantum chemistry calculation with python.

In this weekend, I played molecular design toolkit. https://bionano.autodesk.com/MolecularDesignToolkit/ This is very nice open source tool kit for pythonist I think. At first, I tried to install the TK in OSx directly, but I had some trouble to run the code. So I installed my linux virtual PC. It is not so difficult to installContinue reading “Quantum chemistry calculation with python.”