jax
jaxlib
numpy
biotite

[dev]
pytest>=7.0.0
hypothesis>=6.0.0
pytest-cov>=4.0.0
ruff>=0.6.0
mypy>=1.8.0
pre-commit>=3.0.0
ipython
synth-pdb
synth-nmr
synth-core

[examples]
optax>=0.1.0
matplotlib>=3.5.0

[torch]
torch>=2.0.0
