torch>=2.0.0
polars>=0.19.0
pyarrow>=12.0.1
pylance>=0.7.5
pyteomics>=4.4.2
numpy>=1.18.1
numba>=0.48.0
lxml>=4.9.1
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

[dev]
pre-commit>=2.7.1

[docs]
mkdocs
mkdocs-material
mkdocstrings[python]>=0.18
