alphapulldown==2.5.0
matplotlib
nvidia-ml-py
ihm
tokamax==0.0.11
jax[cuda]==0.9.1
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
