energy-diagrams

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Tonner-Zech-Group / chem-diagrams

Python package for the creation of publication-quality reaction energy diagrams with Matplotlib.

visualization python chemistry physics computational-chemistry compchem plotting materials-science catalysis energy-diagram energy-diagrams

Updated Jul 11, 2026
Python

angzeli / Reaction-Energy-Profiles-Python

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A clean Jupyter notebook demonstrating how to construct and visualise reaction free-energy profiles (ΔG) using Python, NumPy, and Matplotlib. Includes examples of two-path, branched, and three-way cheletropic/Diels–Alder mechanistic pathways, with Hartree-to-kJ/mol conversion, safety checks, smoothing functions, and publication-quality figures.

python chemistry data-visualization scientific-visualization computational-chemistry matplotlib physical-chemistry reaction-coordinate reaction-profiles energy-diagrams mechanistic-chemistry

Updated Nov 17, 2025
Jupyter Notebook

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