torch==2.4.1
torch_geometric
torch-scatter
uvicorn
asgiref
starlette
shiny
pandas
numpy
requests
scipy
fair-esm
matplotlib
biopython
biotite
scikit-learn
optuna
seaborn
openpyxl
py3Dmol
gpytorch
openmm
umap-learn
proteusAI

[dev]
black
ruff
pytest
flake8
flake8-import-order
flake8-builtins
flake8-bugbear

[docs]
sphinx
sphinx-book-theme
myst-nb
ipywidgets
sphinx-new-tab-link!=0.2.2
jupytext
