Nano-Utils>=2.3.1
numpy>=1.15.0
scipy>=0.19.1
pandas>=0.24.0
AssertionLib>=2.3
noodles>=0.3.3
more-itertools>=1.0
plams>=1.5.1
qmflows>=0.11.1
nlesc-CAT>=0.11.1
Auto-FOX>=0.10.0
rdkit-pypi>=2018.03.1

[test]
pyyaml>=5.1
pytest
pytest-cov
pytest-mock
