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Author:
None
License:
UFRJ License Notice
This software is owned by the Federal University of Rio de Janeiro (UFRJ),
developed by Artur Duque Rossi and Pedro Henrique Monteiro Torres, and is
...
Summary:
OCDocker is a Python package for molecular docking automation, virtual screening and AI consensus scoring.
Latest version:
0.13.5
Required dependencies:
aiohttp
|
attrs
|
certifi
|
charset-normalizer
|
click
|
colorlog
|
configargparse
|
cupy-cuda11x
|
dcor
|
fsspec
|
gmpy2
|
graphviz
|
h5py
|
idna
|
imageio
|
ipython
|
joblib
|
jsonschema
|
lime
|
llvmlite
|
matplotlib
|
mpmath
|
networkx
|
numba
|
numpy
|
packaging
|
pandas
|
pillow
|
pingouin
|
pydantic
|
pydantic-settings
|
pyparsing
|
python-dateutil
|
python-dotenv
|
pytz
|
pyyaml
|
requests
|
rich
|
rustworkx
|
scikit-image
|
scikit-learn
|
scipy
|
seaborn
|
six
|
snakemake-logger-plugin-snkmt
|
statsmodels
|
sympy
|
tifffile
|
tqdm
|
typer
|
urllib3
Optional dependencies:
biopython
|
boto3
|
build
|
coverage
|
detect-secrets
|
dropbox
|
furo
|
google-cloud-storage
|
mypy
|
myst-parser
|
openbabel
|
optuna
|
optuna-dashboard
|
optuna-integration
|
pre-commit
|
psycopg
|
pymysql
|
pytest
|
pytest-cov
|
pytest-order
|
rdkit
|
setuptools
|
snakemake
|
sphinx
|
sphinx-argparse
|
sphinx-rtd-theme
|
spyrmsd
|
sqlalchemy
|
sqlalchemy-utils
|
torch
|
torchaudio
|
torchsummary
|
torchvision
|
torchviz
|
twine
|
visualtorch
|
wheel
|
xgboost
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