torch>=2.11.0
ParmEd>=4.2.1
numpy

[dev]
openmm[cuda13]>=8.1.1
sphinx>=8.1.3
sphinx-rtd-theme>=3.0.1
matplotlib

[mace]
mace-torch>=0.3.11
cuequivariance
cuequivariance-torch
cuequivariance-ops-torch-cu13
