cached-path>=1.7.1
ase<4,>=3.25.0
scipy>=1.15.1
torch<3.0.0,>=2.8.0
dm-tree==0.1.8
tqdm>=4.67.1
nvalchemi-toolkit-ops>=0.2.0

[torchsim]
torch-sim-atomistic>=0.5.1
