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requirements.txt
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absl-py==1.4.0
alabaster==0.7.13
astunparse==1.6.3
attrs==22.2.0
Babel==2.11.0
Bottleneck @ file:///home/conda/feedstock_root/build_artifacts/bottleneck_1674242883327/work
cachetools==5.3.0
certifi @ file:///croot/certifi_1671487769961/work/certifi
charset-normalizer==3.0.1
cloudpickle==2.2.1
common-wrangler==0.3.5
conformer-rl==1.1.0
coverage==7.1.0
cycler @ file:///home/conda/feedstock_root/build_artifacts/cycler_1635519461629/work
dill==0.3.6
dnspython==2.3.0
docutils==0.18.1
exceptiongroup==1.1.0
flatbuffers==23.1.21
gast==0.4.0
google-auth==2.16.0
google-auth-oauthlib==0.4.6
google-pasta==0.2.0
grpcio==1.51.1
gym==0.21.0
h5py==3.8.0
idna==3.4
imagesize==1.4.1
importlib-metadata==4.13.0
iniconfig==2.0.0
Jinja2==3.1.2
joblib==1.2.0
keras==2.11.0
kiwisolver @ file:///croot/kiwisolver_1672387140495/work
libclang==15.0.6.1
ligninkmc==0.2.2
Markdown==3.4.1
MarkupSafe==2.1.2
matplotlib @ file:///home/conda/feedstock_root/build_artifacts/matplotlib-suite_1636786646663/work
MCHammer==1.0.4
multiprocess==0.70.14
networkx==3.0
numexpr @ file:///croot/numexpr_1668713893690/work
numpy==1.24.2
nvidia-cublas-cu11==11.10.3.66
nvidia-cuda-nvrtc-cu11==11.7.99
nvidia-cuda-runtime-cu11==11.7.99
nvidia-cudnn-cu11==8.5.0.96
oauthlib==3.2.2
opt-einsum==3.3.0
packaging @ file:///home/conda/feedstock_root/build_artifacts/packaging_1673482170163/work
pandas==1.4.4
pathos==0.3.0
Pillow==9.3.0
pluggy==1.0.0
pox==0.3.2
ppft==1.7.6.6
protobuf==3.19.6
psutil==5.9.4
pyasn1==0.4.8
pyasn1-modules==0.2.8
pycairo==1.23.0
pyg-lib==0.1.0+pt113cu117
Pygments==2.14.0
pymongo==4.3.3
pyparsing @ file:///home/conda/feedstock_root/build_artifacts/pyparsing_1652235407899/work
pytest==7.2.1
pytest-mock==3.10.0
python-dateutil @ file:///home/conda/feedstock_root/build_artifacts/python-dateutil_1626286286081/work
pytz @ file:///home/conda/feedstock_root/build_artifacts/pytz_1673864280276/work
rdkit-pypi==2022.9.4
reportlab @ file:///home/conda/feedstock_root/build_artifacts/reportlab_1671121821275/work
requests==2.28.2
requests-oauthlib==1.3.1
rsa==4.9
scikit-learn==1.2.1
scipy==1.10.0
seaborn==0.12.2
six @ file:///home/conda/feedstock_root/build_artifacts/six_1620240208055/work
snowballstemmer==2.2.0
Sphinx==6.1.3
sphinx-rtd-theme==1.2.0
sphinxcontrib-applehelp==1.0.4
sphinxcontrib-devhelp==1.0.2
sphinxcontrib-htmlhelp==2.0.1
sphinxcontrib-jquery==2.0.0
sphinxcontrib-jsmath==1.0.1
sphinxcontrib-qthelp==1.0.3
sphinxcontrib-serializinghtml==1.1.5
SpinDry==0.0.91
SQLAlchemy @ file:///home/conda/feedstock_root/build_artifacts/sqlalchemy_1649751516381/work
stable-baselines3==1.7.0
stk==2022.6.17.0
tensorboard==2.11.2
tensorboard-data-server==0.6.1
tensorboard-plugin-wit==1.8.1
tensorflow==2.11.0
tensorflow-estimator==2.11.0
tensorflow-io-gcs-filesystem==0.30.0
termcolor==2.2.0
threadpoolctl==3.1.0
tomli==2.0.1
torch==1.13.1
torch-cluster==1.6.0+pt113cu117
torch-geometric==2.2.0
torch-scatter==2.1.0+pt113cu117
torch-sparse==0.6.16+pt113cu117
torch-spline-conv==1.2.1+pt113cu117
tornado @ file:///home/conda/feedstock_root/build_artifacts/tornado_1666788587690/work
tqdm==4.64.1
typing_extensions==4.4.0
urllib3==1.26.14
vabene==0.0.5
Werkzeug==2.2.2
wrapt==1.14.1
zipp==3.13.0