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requirements_chemprop.txt
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requirements_chemprop.txt
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# This file may be used to create an environment using:
# $ conda create --name <env> --file <this file>
# platform: linux-64
_libgcc_mutex=0.1=main
_openmp_mutex=5.1=1_gnu
alabaster=0.7.16=pypi_0
babel=2.14.0=pypi_0
blinker=1.7.0=pypi_0
bzip2=1.0.8=h7b6447c_0
ca-certificates=2023.12.12=h06a4308_0
certifi=2023.11.17=pypi_0
charset-normalizer=3.3.2=pypi_0
chemprop=1.6.1=pypi_0
click=8.1.7=pypi_0
cloudpickle=3.0.0=pypi_0
contourpy=1.2.0=pypi_0
cycler=0.12.1=pypi_0
docstring-parser=0.15=pypi_0
docutils=0.20.1=pypi_0
expat=2.5.0=h6a678d5_0
filelock=3.13.1=pypi_0
flask=3.0.0=pypi_0
fonttools=4.47.2=pypi_0
fsspec=2023.12.2=pypi_0
future=0.18.3=pypi_0
hyperopt=0.2.7=pypi_0
idna=3.6=pypi_0
imagesize=1.4.1=pypi_0
itsdangerous=2.1.2=pypi_0
jinja2=3.1.3=pypi_0
joblib=1.3.2=pypi_0
kiwisolver=1.4.5=pypi_0
ld_impl_linux-64=2.38=h1181459_1
libffi=3.3=he6710b0_2
libgcc-ng=11.2.0=h1234567_1
libgomp=11.2.0=h1234567_1
libstdcxx-ng=11.2.0=h1234567_1
libuuid=1.41.5=h5eee18b_0
markupsafe=2.1.3=pypi_0
matplotlib=3.8.2=pypi_0
mpmath=1.3.0=pypi_0
mypy-extensions=1.0.0=pypi_0
ncurses=6.4=h6a678d5_0
networkx=3.2.1=pypi_0
numpy=1.26.3=pypi_0
nvidia-cublas-cu12=12.1.3.1=pypi_0
nvidia-cuda-cupti-cu12=12.1.105=pypi_0
nvidia-cuda-nvrtc-cu12=12.1.105=pypi_0
nvidia-cuda-runtime-cu12=12.1.105=pypi_0
nvidia-cudnn-cu12=8.9.2.26=pypi_0
nvidia-cufft-cu12=11.0.2.54=pypi_0
nvidia-curand-cu12=10.3.2.106=pypi_0
nvidia-cusolver-cu12=11.4.5.107=pypi_0
nvidia-cusparse-cu12=12.1.0.106=pypi_0
nvidia-nccl-cu12=2.18.1=pypi_0
nvidia-nvjitlink-cu12=12.3.101=pypi_0
nvidia-nvtx-cu12=12.1.105=pypi_0
openssl=1.1.1w=h7f8727e_0
packaging=23.2=pypi_0
pandas=2.1.4=pypi_0
pandas-flavor=0.6.0=pypi_0
pillow=10.2.0=pypi_0
pip=23.3.1=py310h06a4308_0
protobuf=4.25.2=pypi_0
py4j=0.10.9.7=pypi_0
pygments=2.17.2=pypi_0
pyparsing=3.1.1=pypi_0
python=3.10.0=h12debd9_5
python-dateutil=2.8.2=pypi_0
pytz=2023.3.post1=pypi_0
rdkit=2023.9.4=pypi_0
readline=8.2=h5eee18b_0
requests=2.31.0=pypi_0
scikit-learn=1.3.2=pypi_0
scipy=1.11.4=pypi_0
setuptools=68.2.2=py310h06a4308_0
six=1.16.0=pypi_0
snowballstemmer=2.2.0=pypi_0
sphinx=7.2.6=pypi_0
sphinxcontrib-applehelp=1.0.8=pypi_0
sphinxcontrib-devhelp=1.0.6=pypi_0
sphinxcontrib-htmlhelp=2.0.5=pypi_0
sphinxcontrib-jsmath=1.0.1=pypi_0
sphinxcontrib-qthelp=1.0.7=pypi_0
sphinxcontrib-serializinghtml=1.1.10=pypi_0
sqlite=3.41.2=h5eee18b_0
sympy=1.12=pypi_0
tensorboardx=2.6.2.2=pypi_0
threadpoolctl=3.2.0=pypi_0
tk=8.6.12=h1ccaba5_0
torch=2.1.2=pypi_0
tqdm=4.66.1=pypi_0
triton=2.1.0=pypi_0
typed-argument-parser=1.9.0=pypi_0
typing-extensions=4.9.0=pypi_0
typing-inspect=0.9.0=pypi_0
tzdata=2023.4=pypi_0
urllib3=2.1.0=pypi_0
werkzeug=3.0.1=pypi_0
wheel=0.41.2=py310h06a4308_0
xarray=2023.12.0=pypi_0
xz=5.4.5=h5eee18b_0
zlib=1.2.13=h5eee18b_0
alabaster==0.7.16
Babel==2.14.0
blinker==1.7.0
certifi==2024.2.2
charset-normalizer==3.3.2
chemprop @ git+https://github.com/puckvg/chemprop@dbd402677a622a306b4088cc3d787197b440c123
click==8.1.7
cloudpickle==3.0.0
contourpy==1.2.0
cycler==0.12.1
docstring-parser==0.15
docutils==0.20.1
filelock==3.13.1
Flask==3.0.2
fonttools==4.49.0
fsspec==2024.2.0
future==1.0.0
hyperopt==0.2.7
idna==3.6
imagesize==1.4.1
itsdangerous==2.1.2
Jinja2==3.1.3
joblib==1.2.0
kiwisolver==1.4.5
MarkupSafe==2.1.5
matplotlib==3.8.3
mpmath==1.3.0
mypy-extensions==1.0.0
networkx==3.2.1
numpy==1.26.4
packaging==23.2
pandas==2.2.1
pandas-flavor==0.6.0
pillow==10.2.0
protobuf==4.25.3
py4j==0.10.9.7
Pygments==2.17.2
pyparsing==3.1.1
python-dateutil==2.9.0
pytz==2024.1
rdkit==2023.9.5
requests==2.31.0
scikit-learn==1.2.1
scipy==1.12.0
six==1.16.0
snowballstemmer==2.2.0
Sphinx==7.2.6
sphinxcontrib-applehelp==1.0.8
sphinxcontrib-devhelp==1.0.6
sphinxcontrib-htmlhelp==2.0.5
sphinxcontrib-jsmath==1.0.1
sphinxcontrib-qthelp==1.0.7
sphinxcontrib-serializinghtml==1.1.10
sympy==1.12
tensorboardX==2.6.2.2
threadpoolctl==3.1.0
torch==2.2.1
tqdm==4.66.2
typed-argument-parser==1.9.0
typing-inspect==0.9.0
typing_extensions==4.10.0
tzdata==2024.1
urllib3==2.2.1
Werkzeug==3.0.1
xarray==2024.2.0