numpy

[all]
openmm
parmed
scipy
qcelemental
jax
jaxlib

[amber]
parmed

[dev]
pytest
ruff
scipy
parmed
qcelemental
openmm
build

[docs]
mkdocs-material

[jax]
jax
jaxlib
scipy

[openmm]
openmm

[optimize]
scipy

[qcel]
qcelemental
