numpy>=1.24
scipy>=1.10
scikit-learn>=1.3
pandas>=2.0
matplotlib>=3.7
pyyaml>=6.0
tqdm>=4.65

[all]
jax>=0.4.0
flax>=0.8.0
optax>=0.2.0
torch>=2.0
pennylane>=0.35
rdkit
jinja2>=3.1
plotly>=5.18

[dev]
pytest>=7.4
pytest-cov>=4.1
ruff>=0.5
mypy>=1.5
build>=1.0
twine>=4.0

[jax]
jax>=0.4.0
flax>=0.8.0
optax>=0.2.0

[molecular]
rdkit

[pennylane]
pennylane>=0.35

[pytorch]
torch>=2.0

[qiskit]
qiskit>=1.0

[reports]
jinja2>=3.1
plotly>=5.18
