ase
ray[tune]
scipy
typer
einops
pandas
pynvml
pykeops
pynvml>=11.5.3
lmdb>=1.6.2
mendeleev
matplotlib
cached-path
platformdirs
plum-dispatch
pytorch-ignite
py-config-runner
jarvis-tools>=2021.07.19

[:sys_platform == "darwin"]
numpy<2.0.0
torch==2.1.0
torchdata==0.7.0
dgl==2.1.0

[:sys_platform == "linux"]
numpy
torch==2.4
dgl>=2.4.0
