numpy>=1.21.0
pandas>=1.3.0
scipy>=1.7.0
openbabel-wheel>=3.1.1
scikit-learn>=1.0.0
xgboost>=1.6.0
shap>=0.41.0
matplotlib>=3.5.0
seaborn>=0.11.0
plotly>=5.0.0
zhipuai>=2.0.0
dash>=2.0.0
cclib>=1.7.2
click>=8.0.0
pyyaml>=6.0
toml>=0.10.2
tqdm>=4.64.0
pathlib2>=2.3.7
joblib>=1.1.0

[dev]
pytest>=6.0
pytest-cov>=2.0
black>=21.0
flake8>=3.8
sphinx>=4.0
sphinx-rtd-theme>=1.0

[notebook]
jupyter>=1.0.0
notebook>=6.4.0
ipywidgets>=7.6.0
ipython>=7.0.0

[viz]
matplotlib>=3.5.0
seaborn>=0.11.0
plotly>=5.0.0
py3Dmol>=2.0.0
ipywidgets>=7.6.0
ipython>=7.0.0
