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Author:
Nikolenko
Summary:
Fast docking evaluation metrics: symmetry-corrected RMSD and PoseBusters filters
Latest version:
0.1.13
Required dependencies:
numpy
|
pandas
|
posebusters
|
rdkit
|
spyrmsd
|
torch
|
tqdm
Optional dependencies:
pytest
|
pytest-cov
|
ruff
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