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Author:
Keiser Lab
License:
MIT
Summary:
Proximity Graph Networks: Predicting ligand affinity with Message Passing Neural Networks
Latest version:
0.1.3
Required dependencies:
hyperopt
|
matplotlib
|
networkx
|
numpy
|
oddt
|
optuna
|
pandas
|
rdkit
|
scikit-learn
|
scipy
|
six
|
sympy
|
tensorboard
|
torch
|
torch-geometric
|
tqdm
|
typed-argument-parser
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