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

[chemdb]
cirpy
chemspipy

[interactive]
jupyterlab
ipywidgets==8.0.4
nglview==3.0.6
py3Dmol

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