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Dependencies
- asgiref
- biopython
- biotite
- fair-esm
- gpytorch
- hdbscan
- matplotlib
- numpy
- openmm
- openpyxl
- optuna
- pandas
- proteusai
- py3dmol
- requests
- scikit-learn
- scipy
- seaborn
- shiny
- starlette
- torch ==2.4.1
- torch-geometric
- torch-scatter
- umap-learn
- uvicorn
13 optional dependencies
- black[dev]
- flake8[dev]
- flake8-bugbear[dev]
- flake8-builtins[dev]
- flake8-import-order[dev]
- ipywidgets[docs]
- jupytext[docs]
- myst-nb[docs]
- pytest[dev]
- ruff[dev]
- sphinx[docs]
- sphinx-book-theme[docs]
- sphinx-new-tab-link[docs]