
[advanced]
numpy>=1.24
scipy>=1.10
CoolProp>=7
ase>=3.22
phonopy>=2.30

[cif]
gemmi>=0.6

[dev]
pytest>=8
PyYAML>=6

[guest]
rdkit>=2023.9

[mace]
mace-torch>=0.3.10

[ml]
chgnet>=0.4.2

[plot]
matplotlib>=3.7

[structure]
gemmi>=0.6
ase>=3.22
pymatgen>=2023.8
spglib>=2

[ui]
streamlit>=1.40

[xtb]
tblite>=0.5
