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