equinox
jax[cpu]
jaxtyping
more-itertools
optax
optimistix
pandas
periodictable
pyarrow
pyscf
py3Dmol
basis_set_exchange
sympy
importlib-resources

[dev]
jupyter-book
tqdm
ipywidgets
pytest
pytest-benchmark
pre-commit
ruff
mdformat-gfm
seaborn
