launchpadlib==2.1.0
openai==1.3.8
pyautogen==0.2.18
flaml[automl]==2.1.1
httpx==0.27.2
python-dotenv>=1.0.1

[:python_version < "3.12"]
numpy==1.24.3

[:python_version >= "3.12"]
numpy>=1.26.0

[cad]
gmsh==4.11.1

[chem]
rdkit-pypi

[test]
pytest==8.3.4
ase==3.22.1
gmsh==4.11.1
py3Dmol
rdkit-pypi

[ui]
PySide6>=6.7.0

[viz]
py3Dmol
