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Author:
Maximilian G. Schuh, Aleksandra Daniluk, Stephan A. Sieber
License:
GNU GENERAL PUBLIC LICENSE
Version 3, 29 June 2007
Copyright (C) 2007 Free Software Foundation, Inc. <https://fsf.org/>
Everyone is permitted ...
Summary:
BenchAudit -- data hygiene and similarity audits for molecular and DTI benchmarks.
Latest version:
0.1.1
Required dependencies:
alembic
|
anyio
|
argon2-cffi
|
argon2-cffi-bindings
|
arrow
|
asttokens
|
async-lru
|
attrs
|
babel
|
beautifulsoup4
|
bleach
|
certifi
|
cffi
|
charset-normalizer
|
chembl-structure-pipeline
|
colorlog
|
comm
|
contourpy
|
cycler
|
debugpy
|
decorator
|
defusedxml
|
executing
|
fastjsonschema
|
filelock
|
fonttools
|
fqdn
|
fsspec
|
greenlet
|
h11
|
httpcore
|
httpx
|
idna
|
ipykernel
|
ipython
|
ipywidgets
|
isoduration
|
jedi
|
jinja2
|
joblib
|
json5
|
jsonpointer
|
jsonschema
|
jsonschema-specifications
|
jupyter
|
jupyter-client
|
jupyter-console
|
jupyter-core
|
jupyter-events
|
jupyter-lsp
|
jupyter-server
|
jupyter-server-terminals
|
jupyterlab
|
jupyterlab-pygments
|
jupyterlab-server
|
jupyterlab-widgets
|
kiwisolver
|
levenshtein
|
lightgbm
|
mako
|
markupsafe
|
matplotlib
|
matplotlib-inline
|
mistune
|
mpmath
|
msgpack
|
nbclient
|
nbconvert
|
nbformat
|
neovim
|
nest-asyncio
|
networkx
|
notebook
|
notebook-shim
|
numpy
|
nvidia-cublas-cu12
|
nvidia-cuda-cupti-cu12
|
nvidia-cuda-nvrtc-cu12
|
nvidia-cuda-runtime-cu12
|
nvidia-cudnn-cu12
|
nvidia-cufft-cu12
|
nvidia-curand-cu12
|
nvidia-cusolver-cu12
|
nvidia-cusparse-cu12
|
nvidia-nccl-cu12
|
nvidia-nvjitlink-cu12
|
nvidia-nvtx-cu12
|
optuna
|
overrides
|
packaging
|
pairwise-sequence-alignment
|
pandas
|
pandocfilters
|
parso
|
pexpect
|
pillow
|
platformdirs
|
polaris-lib
|
prometheus-client
|
prompt-toolkit
|
psutil
|
psycopg2-binary
|
ptyprocess
|
pure-eval
|
pycparser
|
pydantic
|
pygments
|
pyparsing
|
pytdc
|
python-dateutil
|
python-json-logger
|
pytz
|
pyyaml
|
pyzmq
|
qtconsole
|
qtpy
|
rdkit
|
referencing
|
requests
|
rfc3339-validator
|
rfc3986-validator
|
rpds-py
|
scikit-learn
|
scipy
|
seaborn
|
send2trash
|
setuptools
|
six
|
sniffio
|
soupsieve
|
sqlalchemy
|
stack-data
|
sympy
|
terminado
|
threadpoolctl
|
tinycss2
|
torch
|
tornado
|
tqdm
|
traitlets
|
types-python-dateutil
|
typing-extensions
|
tzdata
|
umap
|
uri-template
|
urllib3
|
useful-rdkit-utils
|
wcwidth
|
webcolors
|
webencodings
|
websocket-client
|
wheel
|
widgetsnbextension
|
xgboost
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