requirements-linux-64.lock

#
# This file is autogenerated by pip-compile with Python 3.10
# by the following command:
#
#    pip-compile --extra-index-url=https://download.pytorch.org/whl/cu113 --extra-index-url=https://pypi.anaconda.org/OpenEye/simple --resolver=backtracking pyproject.toml
#
--extra-index-url https://download.pytorch.org/whl/cu113
--extra-index-url https://pypi.anaconda.org/OpenEye/simple

absl-py==1.4.0
    # via tensorboard
alabaster==0.7.13
    # via sphinx
attrs==22.2.0
    # via pytest
babel==2.12.1
    # via sphinx
cachetools==5.3.0
    # via google-auth
certifi==2022.12.7
    # via requests
charset-normalizer==3.1.0
    # via requests
chemprop==1.5.2
    # via reinvent (pyproject.toml)
descriptastorus==2.6.0
    # via ChemProp (hidden dependency)
click==8.1.3
    # via flask
cloudpickle==2.2.1
    # via hyperopt
contourpy==1.0.7
    # via matplotlib
cycler==0.11.0
    # via matplotlib
dill==0.3.6
    # via
    #   multiprocess
    #   pathos
docutils==0.19
    # via sphinx
exceptiongroup==1.1.0
    # via pytest
flask==2.2.3
    # via chemprop
fonttools==4.38.0
    # via matplotlib
funcy==1.18
    # via reinvent (pyproject.toml)
future==0.18.3
    # via hyperopt
google-auth==2.16.2
    # via
    #   google-auth-oauthlib
    #   tensorboard
google-auth-oauthlib==0.4.6
    # via tensorboard
grpcio==1.51.3
    # via tensorboard
hyperopt==0.2.7
    # via chemprop
idna==3.4
    # via requests
imagesize==1.4.1
    # via sphinx
iniconfig==2.0.0
    # via pytest
itsdangerous==2.1.2
    # via flask
jinja2==3.1.2
    # via
    #   flask
    #   sphinx
joblib==1.2.0
    # via scikit-learn
kiwisolver==1.4.4
    # via matplotlib
lazy-loader==0.1
    # via pandas-flavor
markdown==3.4.1
    # via tensorboard
markupsafe==2.1.2
    # via
    #   jinja2
    #   werkzeug
matplotlib==3.7.1
    # via
    #   chemprop
    #   reinvent (pyproject.toml)
mmpdb==2.1
    # via reinvent (pyproject.toml)
molvs==0.1.1
    # via reinvent (pyproject.toml)
multiprocess==0.70.14
    # via pathos
mypy-extensions==1.0.0
    # via typing-inspect
networkx==3.0
    # via hyperopt
numpy==1.24.2
    # via
    #   chemprop
    #   contourpy
    #   hyperopt
    #   matplotlib
    #   pandas
    #   rdkit
    #   reinvent (pyproject.toml)
    #   scikit-learn
    #   scipy
    #   tensorboard
    #   tensorboardx
    #   torchvision
    #   xarray
oauthlib==3.2.2
    # via requests-oauthlib
openeye-toolkits==2022.2.2
    # via reinvent (pyproject.toml)
openeye-toolkits-python3-linux-x64==2022.2.2
    # via openeye-toolkits
packaging==23.0
    # via
    #   matplotlib
    #   pytest
    #   sphinx
    #   tensorboardx
    #   xarray
pandas==1.5.3
    # via
    #   chemprop
    #   pandas-flavor
    #   reinvent (pyproject.toml)
    #   xarray
pandas-flavor==0.5.0
    # via chemprop
pathos==0.3.0
    # via reinvent (pyproject.toml)
pillow==9.4.0
    # via
    #   matplotlib
    #   rdkit
    #   reinvent (pyproject.toml)
    #   torchvision
pluggy==1.0.0
    # via pytest
pox==0.3.2
    # via pathos
ppft==1.7.6.6
    # via pathos
protobuf==3.20.3
    # via
    #   tensorboard
    #   tensorboardx
py4j==0.10.9.7
    # via hyperopt
pyasn1==0.4.8
    # via
    #   pyasn1-modules
    #   rsa
pyasn1-modules==0.2.8
    # via google-auth
pydantic==1.10.5
    # via reinvent (pyproject.toml)
pygments==2.14.0
    # via sphinx
pyparsing==3.0.9
    # via matplotlib
pytest==7.2.2
    # via reinvent (pyproject.toml)
python-dateutil==2.8.2
    # via
    #   matplotlib
    #   pandas
python-dotenv==1.0.0
    # via reinvent (pyproject.toml)
pytz==2022.7.1
    # via pandas
pyyaml==6.0
    # via reinvent (pyproject.toml)
rdkit==2022.9.5
    # via reinvent (pyproject.toml)
requests==2.28.2
    # via
    #   reinvent (pyproject.toml)
    #   requests-mock
    #   requests-oauthlib
    #   sphinx
    #   tensorboard
    #   torchvision
requests-mock==1.10.0
    # via reinvent (pyproject.toml)
requests-oauthlib==1.3.1
    # via google-auth-oauthlib
rsa==4.9
    # via google-auth
scikit-learn==1.2.1
    # via chemprop
scipy==1.10.1
    # via
    #   chemprop
    #   hyperopt
    #   reinvent (pyproject.toml)
    #   scikit-learn
six==1.16.0
    # via
    #   google-auth
    #   hyperopt
    #   molvs
    #   python-dateutil
    #   requests-mock
snowballstemmer==2.2.0
    # via sphinx
sphinx==6.1.3
    # via chemprop
sphinxcontrib-applehelp==1.0.4
    # via sphinx
sphinxcontrib-devhelp==1.0.2
    # via sphinx
sphinxcontrib-htmlhelp==2.0.1
    # via sphinx
sphinxcontrib-jsmath==1.0.1
    # via sphinx
sphinxcontrib-qthelp==1.0.3
    # via sphinx
sphinxcontrib-serializinghtml==1.1.5
    # via sphinx
tenacity==8.2.2
    # via reinvent (pyproject.toml)
tensorboard==2.12.0
    # via reinvent (pyproject.toml)
tensorboard-data-server==0.7.0
    # via tensorboard
tensorboard-plugin-wit==1.8.1
    # via tensorboard
tensorboardx==2.6
    # via chemprop
threadpoolctl==3.1.0
    # via scikit-learn
tomli==2.0.1
    # via
    #   pytest
    #   reinvent (pyproject.toml)
torch==1.12.1+cu113
    # via
    #   chemprop
    #   reinvent (pyproject.toml)
    #   torchvision
torchvision==0.13.1+cu113
    # via reinvent (pyproject.toml)
tqdm==4.65.0
    # via
    #   chemprop
    #   hyperopt
    #   reinvent (pyproject.toml)
typed-argument-parser==1.7.2
    # via chemprop
typing-extensions==4.5.0
    # via
    #   pydantic
    #   reinvent (pyproject.toml)
    #   torch
    #   torchvision
    #   typed-argument-parser
    #   typing-inspect
typing-inspect==0.8.0
    # via typed-argument-parser
urllib3==1.26.14
    # via requests
werkzeug==2.2.3
    # via
    #   flask
    #   tensorboard
wheel==0.38.4
    # via tensorboard
xarray==2023.2.0
    # via pandas-flavor

# The following packages are considered to be unsafe in a requirements file:
# setuptools