Python for Chemists

This repository provides an introduction to Python programming using Jupyter Notebooks for chemists. The worksheets are intended to accompany an introductory chemistry curriculum. If you haven't used Jupyter notebooks before, begin by following the instructions below.

For instructor access to answer keys, email Dr. David Ginger at [email protected].

Getting Started with Jupyter Notebooks

Python programming can be a powerful tool for chemists. The Python language itself specifies the basic programming syntax and a limited standard library. To add more powerful functionality to the basic language, we can import additional packages, which contain code written by other programmers.

Anaconda is a distribution of the Python language, a large number of helpful packages, and some applications that help you write Python code, called integrated development environments (IDEs).

1. Download the latest version of the Anaconda distribution of Python from here (we recommend downloading Python 3, not Python 2).
2. Run the installer (.exe on Windows or .dmg on MacOS); you can accept all of the default installation settings.
3. Once installation is complete, you should be able to launch an application called the "Anaconda Navigator".
4. From the Anaconda Navigator, launch the JupyterLab application (you can
5. Navigate the directory to find and open the hw-0-getting-started.ipynb file.
6. Follow the instructions in the file to get started.