numpy>=1.21.0
matplotlib>=3.5.0
requests>=2.25.0
MDAnalysis>=2.0.0
lipyphilic>=0.12.0
propka>=3.2.0
Pillow>=9.0.0
rdkit>=2023.3.1
psique>=1.2.1

[full]
parmed>=4.3.0
openmm>=8.0

[md]
parmed>=4.3.0
openmm>=8.0

[orientation]
