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Dependencies
- cclib >=1.7.2
- click >=8.0.0
- dash >=2.0.0
- joblib >=1.1.0
- matplotlib >=3.5.0
- numpy >=1.21.0
- openbabel-wheel >=3.1.1
- pandas >=1.3.0
- pathlib2 >=2.3.7
- plotly >=5.0.0
- pyyaml >=6.0
- scikit-learn >=1.0.0
- scipy >=1.7.0
- seaborn >=0.11.0
- shap <0.49.0,>=0.48.0
- toml >=0.10.2
- tqdm >=4.64.0
- xgboost <3.0.0,>=2.1.4
- zhipuai >=2.0.0
16 optional dependencies
- black[dev]
- flake8[dev]
- ipython[viz]
- ipython[notebook]
- ipywidgets[viz]
- ipywidgets[notebook]
- jupyter[notebook]
- matplotlib[viz]
- notebook[notebook]
- plotly[viz]
- py3dmol[viz]
- pytest[dev]
- pytest-cov[dev]
- seaborn[viz]
- sphinx[dev]
- sphinx-rtd-theme[dev]