ase==3.29.0
einops==0.8.2
fire==0.7.1
frozendict==2.4.7
typer==0.27.2
decorator==5.3.1
mace-models==0.1.6
mace-torch==0.3.16
hydromace==0.2.1
znframe==0.1.5
zndraw==0.6.0
e3nn==0.4.4
torch>=2.0
numpy==1.26.4

[all]
rdkit==2026.3.5
