The following is the textbook used for the Scientific Computing for Chemists course intended to teach chemists and chemistry students basic computer programming in Python and Jupyter Notebooks and ...

requirements.txt Lists the Python packages required to run the project. .gitignore Excludes local files such as virtual environments, test files, cached Python files and generated Excel outputs from ...

Jupyter Notebook is a tool to run and write Python code easily, showing results right away, and allowing you to combine code, charts, notes, and files in one place ...