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Author:
Liam Brydon-Brown
Summary:
Code for the Paper 'Predicting Enzyme-Compound Interactions for Enzyme-Catalysed Reactions'
Latest version:
0.1.0
Required dependencies:
cairosvg
|
envipath-python
|
iterative-stratification
|
kaleido
|
lightning
|
matplotlib
|
pandas
|
plotly
|
rdkit
|
scikit-learn
|
tensorboard
|
tqdm
|
xgboost
Optional dependencies:
cupy-cuda12x
|
torch
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