atomlite
scipy
matplotlib
pandas
pathos
seaborn
numpy
pymongo[srv]
MCHammer
SpinDry
vabene
rdkit!=2024.3.5

[dev]
ruff
moldoc==3.0.0
mypy
pip-tools
pytest<8
pytest-benchmark
pytest-datadir
pytest-lazy-fixture
pytest-cov
sphinx
sphinx-copybutton
sphinx-rtd-theme
twine
chemiscope
