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Summary:
PLINDER: Protein & Ligand INteraction Dataset and Evaluation Resource
Latest version:
1.0.0
Required dependencies:
biotite
|
cloudpathlib
|
duckdb
|
numpy
|
omegaconf
|
pandas
|
peppr
|
pyarrow
|
pydantic
|
rdkit
|
threadpoolctl
|
tqdm
|
voronotalt
Optional dependencies:
build
|
cloudpathlib
|
gcsfs
|
google-cloud-storage
|
itables
|
jupyter-sphinx
|
jupyterlab-myst
|
jupytext
|
matplotlib
|
matplotlib-venn
|
mols2grid
|
mypy
|
myst-nb
|
myst-parser
|
numba
|
numpydoc
|
plinder
|
posebusters
|
pre-commit
|
pydata-sphinx-theme
|
pytest
|
pytest-cov
|
pytest-xdist
|
ruff
|
scipy
|
seaborn
|
setuptools-scm
|
sphinx
|
sphinx-copybutton
|
sphinx-design
|
sphinx-gallery
|
tomli
|
torch
|
tox
|
types-pyyaml
|
types-requests
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