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Dependencies
- alive-progress
- ase ==3.24.0
- cairosvg ==2.7.1
- cufflinks
- graphviz
- ipython
- joblib >=1.1.0
- lz4
- matplotlib >=3.4.0
- mpi4py
- networkx
- numpy ==1.26.4
- pandas >=1.3.0
- plotly ==5.24.1
- psutil
- pyyaml >=6.0
- pyzipper
- rdkit ==2023.9.2
- requests
- scikit-learn >=1.0.0
- scikit-optimize >=0.9.0
- scipy
- seaborn >=0.11.0
- shap >=0.40.0
- tqdm
- xgboost >=1.5.0