SynEdu uses open-source Python packages and does not require a commercial licence.
Core software¶
Cheminformatics
rdkit · openbabel
Parsing, sanitization, canonical SMILES, and depiction.
Graph modeling
networkx
Labeled molecular graphs, isomorphism, and the ITS/DPO machinery.
Data science
numpy · pandas · scikit-learn
Dataset handling, descriptors, and clustering in the later lessons.
Notebooks
jupyter · jupytext · ipywidgets
The executable lesson format and its Markdown source representation.
Visualization
matplotlib · seaborn
Figures for property distributions and evaluation results.
Testing and documentation
pytest · nbval · jupyter-book · mystmd
Notebook execution tests and this documentation site.
Dependency versions are recorded in pyproject.toml and uv.lock.