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Chemistry Python

This is a starter setup as an idea for an article. It includes ChemPy, SymPy, and JupyterLab.

ChemPy might be an undergraduate chemistry suitable tool? (I haven't worked with it at all, so I don't know.) SymPy is a good all around tool for symbolic math -- see Solving Math Equations in Python and Jupyter for an introduction if you haven't used it.

Usage:

(Note: this assumes python and pip refer to python3 and pip3, if not, substitute those).

python -m venv venv
source venv/bin/activate # Linux or Mac
# On windows use instead of last line:
# venv\Scripts\activate.bat
pip install -r requirements.txt
jupyter lab

From there you can create a notebook via the launcher as usual.

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