numpy>=1.24.0
torch>=2.0.0
gemmi>=0.6.0
mdtraj>=1.9.7
loguru>=0.7.0
tqdm>=4.65.0
pyyaml>=6.0
SFcalculator-torch>=0.3.1

[CI]
ruff
pre-commit>=4.0.0
mypy>=1.20.1

[tests]
pytest>=7.0.0
pytest-cov>=4.0.0
pytest-xdist>=3.0.0

[wandb]
wandb>=0.22.3
