numpy<3,>=1.26.4
pandas
matplotlib
seaborn
tqdm
PyOpenGL
biopython
scipy<2,>=1.13.1
scikit-learn
requests
ipympl
networkx

[all]
pytest
pytest-cov
ovito
imageio
Pillow
jupyter
jupyterlab
ipykernel
ipywidgets
mkdocs>=1.6
ioNERDSS[proaffinity]

[docs]
mkdocs>=1.6

[jupyter]
jupyter
jupyterlab
ipykernel
ipywidgets

[ovito_rendering]
ovito
imageio
Pillow

[proaffinity]
numpy==1.26.4
scipy==1.13.1
torch==2.2.2
torchvision==0.17.2
torchaudio==2.2.2
torch_geometric==2.3.0
scikit-learn>=1.5.0
transformers==4.38
tokenizers==0.15.2
huggingface-hub>=0.33.2
safetensors>=0.5.3
accelerate>=0.26

[test]
pytest
pytest-cov
