joblib
numpy<2
pandas
scikit-learn
sympy
scipy>=1.10.1
rdkit

[dqc]
dqc
xitorch
torch==2.2.1
pylibxc2

[jax]
jax==0.4.30
jaxlib==0.4.30
dm-haiku==0.0.13
optax

[tensorflow]
tensorflow
tensorflow_probability

[tensorflow:python_version < "3.12"]
tensorflow_addons

[torch]
torch==2.2.1
torchvision
pytorch-lightning
dgl<2.2.1
dgllife
