aiida-core>=2.6
aiidalab-widgets-base
aiida-chemshell>=0.1.10
rdkit
weas-widget

[dev]
pytest>=8.0
pytest-cov>=6.0
ruff>=0.11.0
pre-commit

[docs]
sphinx>=8.0.2
piccolo-theme>=0.14.0
sphinx-toolbox
numpydoc
