importlib-resources
numpy<2.0.0
scipy
matplotlib
pillow
pandas
anytree
networkx
rdkit
openmm
lammps
mdtraj

[chemdb]
cirpy
chemspipy

[gnn]
espaloma-charge

[jupyter]
jupyterlab
ipywidgets==8.0.4

[test]
pytest>=6.1.2
pytest-runner
pytest-cov
codecov

[visuals]
rich
nglview==3.0.6
py3Dmol
