ipykernel
pandas
numpy
jupyter>=1.0.0
matchms>=0.9.0
spec2vec>=0.4
plotly>=4.14.3
cimcb-lite>=1.0.2
scikit-bio>=0.5.6
scikit-learn>=0.24.1

[dev]
isort<5,>=4.2.5
prospector[with_pyroma]
pytest
pytest-cov
