The course gives basic knowledge in programming in Python in relation to important applications in chemistry and biotechnology
- Introduction to computers and file systems. Terminals and the command line interface.
- Writing documents in LaTeX and Overleaf
- Conda: installation and environments
- Jupyter notebooks
- Datatypes, conditionals, iterations
- File handling and I/O
- Packages and modules
- Functions and classes, object-oriented programming
- Common scientific libraries: Numpy, Scipy, Matplotlib, Seaborn, Pandas
- Machine learning with PyCobra
- Applications to differential equations, molecular dynamics, bioinformatics and data analysis.