ase
bokeh
CageCavityCalc
cclib
ipython
ipywidgets
jupyter
jupyter_bokeh
matplotlib
mendeleev
molmass
numpy
openpyxl
pandas
Pillow
pipdeptree
plotly
pubchempy
py3Dmol
pymatgen
pyvis
qrcode
requests
rdkit
scikit-learn
scipy
seaborn
sympy
tqdm
wordcloud
xarray

[docs]
sphinx
sphinx_rtd_theme
myst-parser
nbsphinx
ipykernel
pandoc
numpydoc
sphinx-copybutton

[ml]
keras
tensorflow
shap
