lightning<2.1,>=2.0
pytorch-lightning<2.0,>=1.9
pyteomics>=4.6
sqlalchemy>=2.0
torch<2.1,>=2.0
numpy<2.0
numba>=0.48.0
lxml>=4.9.1
h5py>=3.7.0
einops>=0.4.1
tqdm>=4.65.0
lark>=1.1.4
selfies>=2.1.1
sortedcontainers>=2.4.0
dill>=0.3.6
rdkit>=2023.03.1
pillow>=9.4.0
spectrum-utils>=0.4.1
tensorboard
