matplotlib
nvidia-ml-py
ihm
tokamax==0.0.12
flax==0.12.8
qwix==0.1.8
pandas
pydantic
packaging
opt_einsum
zstandard==0.23.0
typeguard==2.13.3
triton==3.1.0
jax_triton==0.2.0
rdkit==2025.9.4
gemmi
scipy==1.18.1
alphafold-colabfold==2.3.20

[:sys_platform != "darwin"]
jax[cuda12]==0.10.2

[:sys_platform == "darwin" and platform_machine == "arm64"]
jax-mps==0.10.9
