This lesson is being piloted (Beta version)

CHEM10121: Introduction to Scientific Programming in Python

This is home page for CHEM10121/31 Professional Development: Introduction to Scientific Programming in Python. The course here owes a great debt to the python workshop hosted by the Molecular Sciences Software Institute.


You should check that you can log in to the Jupyter server and open a notebook. You can use a single notebook for all lessons.


Setup Download files required for the lesson
00:00 1. Introduction What is the basic syntax of the python programming language?
00:45 2. File Parsing How do I sort through all the information in a text file and extract particular pieces of information?
01:30 3. Processing Multiple Files and Writing Files How do I analyze multiple files at once?
02:05 4. Working with Tabular Data How do I work with numerical data presented in tables?
03:50 5. Plotting and Data Visualization How do I visualize data by making graphs?
04:30 6. Writing Functions How do I write include functions in my code?
05:10 7. The Atomic Simulation Environment: Python for Chemistry How can I use python to manipulate molecules ?
05:50 Finish

The actual schedule may vary slightly depending on the topics and exercises chosen by the instructor.