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Author:
Florian B. Hinz, Matthew R. Masters, Julia T. Nguyen, Amr H. Mahmoud, Markus A. Lill
License:
MIT License
Copyright (c) 2021-2023 Universitat Pompeu Fabra, https://www.compscience.org
Permission is hereby granted, free of charge, to any person obtaining a cop...
Summary:
Accelerated hydration site localization and thermodynamic profiling
Latest version:
0.1.3
Required dependencies:
biopython
|
hydra-core
|
matplotlib
|
numpy
|
pandas
|
plotly
|
pymol-open-source
|
pytorch-lightning
|
pyyaml
|
scikit-learn
|
scipy
|
torch
|
torch_geometric
|
torch_scatter
|
tqdm
|
wandb
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