numpy>=2.3.0
pandas>=2.3.0
tqdm>=4.66.4
scipy>=1.15.1
rdkit>=2024.9.4
Levenshtein>=0.26.0
pydantic>=2.11.4

[cpu]
torch==2.3.1

[cuda]
torch[cuda]==2.3.1

[pre-commit]
pre-commit>=3.4.0
black>=23.7.0
isort>=5.12.0
flake8>=6.1.0
mypy>=1.5.0

[test]
pytest>=7.3.2
pytest-cov>=5.0.0
pytest-mock>=3.14.0
pytest-md>=0.2.0
