ase==3.23.0
scipy==1.15.2
deepmd-kit>=3.0.1
torch==2.5.0
dpdispatcher==0.6.7
numpy==1.26.4
paramiko==3.5.1
pyxtal==1.0.4
phonopy==2.28.0
rdkit==2024.3.3
pytest==8.3.4
