pandas>=1.0.0
numpy>=1.13.3
scipy>=1.3.0
mdanalysis>=2.2.0
tqdm
multiprocess
dill

[build]
build

[dev]
prolif[build,tests]

[plots]
py3Dmol
matplotlib>=3.5

[tests]
pytest>=6.1.2
pytest-cov
ipython
prolif[plots]

[tutorials]
rdkit
matplotlib>=3.7
seaborn<1.0
networkx
pyvis
prolif[plots]
