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.
Prerequisites
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.