pandas
numpy
matplotlib
pandera
scipy
requests
altair

[atommapping]
cobra
RDKit
pymatgen
openjdk

[develop]
pytest
ipykernel
python-dotenv
openpyxl
sphinx==3.4.3
numpydoc>=1.1
nb2plots>=0.6
jinja2<3.1.0
nbsphinx==0.9.1
sphinx-material
sphinx-autoapi

[matlab]
matlabengine
