Contents
The aim of this course is to provide participants with the basic knowledge and practical skills required to work effectively with Linux and JupyterLab in the context of molecular modeling workflows. The course consists of lectures, demonstrations, and hands-on exercises on the virtual HPC cluster RedLion.
The topics covered are:
Introduction to the Linux
- Basics of the Linux filesystem
- Command line operations
- Network operations
- Text editors
- User environment
- Basics of scripting
Introduction to JupyterLab
- Using JupyterLab on RedLion
- Login procedures and usage of the terminal window
- Jupyter notebook magic functions and tricks
- Using noVNC in JupyterLab
Schedule (all times in CET)
- 09:30 - 12:30: Introduction to Linux
- 12:30 - 13:30: Lunch Break
- 13:30 - 15:30: Introduction to JupyterLab
Prerequisites
No advanced Linux or JupyterLab knowledge is required. Basic familiarity with computers and an interest in molecular modeling or scientific computing are recommended.
Hands-On
During the course, participants will practice basic Linux command line operations and learn how to use JupyterLab on the virtual HPC cluster RedLion. They will learn how to log in, use a terminal window, submit jobs, and access graphical applications through noVNC in JupyterLab.