These are my go-to libraries for Python data crunching.

Jupyter Notebook is a tool to run and write Python code easily, showing results right away, and allowing you to combine code, charts, notes, and files in one place ...

Reads a notebook from a file or stdin, strips output and some metadata, and writes the "cleaned" version of the notebook to the original file or stdout. Intended to be used as a Git filter or ...

Anaconda provides a handy GUI, a slew of work environments, and tools to simplify the process of using Python for data science. No question about it, Python is a crucial part of modern data science.

This page is a curated collection of IPython notebooks that are notable for some reason. Feel free to add new content here, but please try to only include links to notebooks that include interesting ...

In undergraduate physical chemistry, Schrödinger’s equation is solved for a variety of cases. In doing so, the energies and wave functions of the system can be interpreted to provide connections with ...

† Department of Chemistry, Physics, and Engineering, Franciscan University, Steubenville, Ohio 43952, United States ‡ Department of Chemistry and Biochemistry, Center for Computational Sciences, ...