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Author:
Thomas Sisk
License:
GPL-3.0-only
Summary:
Compute writhe and train Writhe-PaiNN score based generative models with torch
Latest version:
1
Required dependencies:
dask
|
deeptime
|
joblib
|
matplotlib
|
mdtraj
|
numba
|
numpy
|
numpy_indexed
|
pyblock
|
ray
|
scikit-learn
|
scipy
|
tensorboard
|
torch
|
torch-geometric
|
tqdm
Optional dependencies:
black
|
flake8
|
pytest
|
pytorch_lightning
|
torch-scatter
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