matchms>=0.24.0
numpy
spec2vec>=0.6.0
h5py
pyarrow
scikit-learn
ms2deepscore==0.5.0
gensim>=4.0.0
pandas
tqdm
matplotlib
skl2onnx
onnxruntime<1.16

[dev]
bump2version
isort>=5.1.0
prospector
pytest
pytest-cov
sphinx!=3.2.0,<4.0.0,>=3.0.0
sphinx_rtd_theme
sphinxcontrib-apidoc
yapf
rdkit
