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Dependencies
- dash <3.0.0,>=2.18.1
- dash-bootstrap-components <2.0.0,>=1.6.0
- dash-cytoscape <2.0.0,>=1.0.2
- dash-extensions ==1.0.20
- diskcache >=5.6.3
- faiss-cpu ==1.10.0
- gensim <5.0.0,>=4.3.3
- lark-parser <0.13.0,>=0.12.0
- matchms <1,>=0.27
- matplotlib <4.0.0,>=3.9.1
- networkx <4.0,>=3.3
- openpyxl ==3.1.5
- pandas <3.0.0,>=2.2.2
- plotly <6.0.0,>=5.23.0
- psims <2.0.0,>=1.3.3
- pubchempy <2.0.0,>=1.0.4
- pyarrow <18.0.0,>=17.0.0
- pydot <4.0.0,>=3.0.0
- py-expression-eval <0.4.0,>=0.3.0
- pymzml <3.0.0,>=2.5.10
- pyqt6 <7.0.0,>=6.7.1
- pyyaml <7.0.0,>=6.0.2
- rdkit <2026,>=2023.9.6
- requests <3.0.0,>=2.32.3
- scikit-learn <2.0.0,>=1.5.1
- scipy <2.0.0,>=1.10.1
- seaborn <0.14.0,>=0.13.2
- spec2vec <0.9.0,>=0.8.0
- tomotopy >=0.12.7
3 optional dependencies
- ipython[notebook]
- jupyterlab[notebook]
- kaleido[notebook]