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Author:
None
License:
Apache-2.0
Summary:
PyTorch-based differentiable molecular docking framework
Latest version:
0.1.0
Required dependencies:
biopython
|
matplotlib
|
numpy
|
pandas
|
pyyaml
|
rdkit
|
scikit-learn
|
scipy
|
smac
|
spyrmsd
|
torch
|
tqdm
|
xgboost
Optional dependencies:
pytest
|
pytest-cov
|
ruff
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