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Author:
Kento Abeywardane
License:
MIT
Summary:
3D scoring functions used for evaluation of ShEPhERD
Latest version:
1.4.0
Required dependencies:
molscrub
|
numpy
|
open3d
|
pandas
|
py3dmol
|
rdkit
|
scipy
|
torch
Optional dependencies:
biopython
|
jax
|
jaxlib
|
meeko
|
mypy
|
myst-nb
|
openbabel
|
optax
|
prolif
|
pytest
|
pytest-cov
|
ruff
|
scikit-learn
|
shepherd-score
|
sphinx
|
sphinx-book-theme
|
sphinx-copybutton
|
vina
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