numpy>=1.26
torch
scipy
cython>=3.0.0
matplotlib
jupyter
ipython
pytorch-lightning
scikit-learn
einops
tqdm
PyYAML
h5py
pandas
pytest
protfasta
soursop
hdf5plugin
mdtraj>=1.9.7
metapredict>=3.0
faiss-cpu>=1.7.4
zstandard>=0.22

[search-gpu]
faiss-gpu>=1.7.4

[test]
pytest>=6.1.2
pytest-runner
