atomlite
scipy
matplotlib
pandas
pathos
seaborn
numpy
pymongo[srv]
MCHammer
SpinDry
vabene
rdkit

[dev]
black
ruff
moldoc
mypy
pip-tools
pytest
pytest-benchmark
pytest-datadir
pytest-lazy-fixture
pytest-cov
sphinx
sphinx-copybutton
sphinx-rtd-theme
twine
