datamol>=0.12.5
loguru>=0.7
matplotlib>=3.8
networkx>=3.2
numpy>=1.26
pillow>=10
rdkit!=2026.3.*,>=2024.9.1

[dev]
black[jupyter]>=25
build>=1.2
pre-commit>=4
ruff>=0.11
twine>=6

[docs]
markdown-include>=0.8.1
mdx-truly-sane-lists>=1.3
mike>=2
mkdocs>=1.6
mkdocs-jupyter>=0.25
mkdocs-material>=9.5
mkdocs-material-extensions>=1.3
mkdocstrings[python]>=0.30

[model]
accelerate>=1.1
datasets>=4
evaluate>=0.4.3
fsspec>=2023.9.2
huggingface-hub<2,>=1.5
tokenizers<0.24,>=0.23.1
torch>=2.5
tqdm>=4.66
transformers<6,>=5
universal-pathlib>=0.2
wandb>=0.18

[test]
ipykernel>=6.29
ipywidgets>=8.1
nbconvert>=7.16
nbformat>=5.10
pytest>=8
pytest-cov>=6
