numpy>=1.23.0
scipy>=1.6.3
matplotlib>=3.3.4
numba>=0.55.0
mdanalysis>=2.0.0
tqdm>=4.45.0
pytest>=6.2.2
memoization>=0.3.1
igraph>=0.10.3
rtoml>=0.9.0

[smiles2residue]
rdkit>=2023.9.6
