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Dependencies
- ase >=3.20.0
- ipywidgets >=8.0.0
- matplotlib >=3.6.0
- numpy >=1.22.0
- pandas >=1.4.0
- py3dmol >=2.0.0
- rdkit >=2022.9.3
- scikit-learn >=1.1.2
- seaborn >=0.11.0