numpy>=1.13
scipy
h5py
tqdm
pandas
mpi4py
matplotlib
torchsummary
torch<1.4.0
pdb2sql>=0.3.0

[:platform_system == "Darwin"]
freesasa==2.0.3.post6

[:platform_system == "Linux"]
freesasa==2.0.3.post7

[cuda]
pycuda

[dev]
prospector[with_pyroma]
autopep8
isort

[doc]
sphinx

[test]
nose
coverage
pytest
pytest-cov
codacy-coverage
coveralls
