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edgeshaper_environment_pytorch_1.12_CUDA_11.6.yml
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edgeshaper_environment_pytorch_1.12_CUDA_11.6.yml
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name: edgeshaper_env
channels:
- milagraph
- pyg
- pytorch
- anaconda
- conda-forge
- defaults
dependencies:
- argon2-cffi=21.3.0=pyhd8ed1ab_0
- argon2-cffi-bindings=21.2.0=py38h294d835_1
- asttokens=2.0.5=pyhd8ed1ab_0
- attrs=21.4.0=pyhd8ed1ab_0
- backcall=0.2.0=pyh9f0ad1d_0
- backports=1.0=py_2
- backports.functools_lru_cache=1.6.4=pyhd8ed1ab_0
- black=21.12b0=pyhd8ed1ab_0
- blas=2.106=mkl
- bleach=4.1.0=pyhd8ed1ab_0
- boost=1.74.0=py38he5193b3_4
- boost-cpp=1.74.0=h5b4e17d_5
- brotli=1.0.9=h8ffe710_6
- brotli-bin=1.0.9=h8ffe710_6
- brotlipy=0.7.0=py38h294d835_1003
- bzip2=1.0.8=h8ffe710_4
- ca-certificates=2022.4.26=haa95532_0
- cairo=1.16.0=hb19e0ff_1008
- certifi=2022.6.15=py38haa95532_0
- cffi=1.15.0=py38hd8c33c5_0
- charset-normalizer=2.0.10=pyhd8ed1ab_0
- click=8.0.3=py38haa244fe_1
- colorama=0.4.4=pyh9f0ad1d_0
- cryptography=36.0.1=py38hb7941b4_0
- cudatoolkit=11.6.0=hc0ea762_10
- cycler=0.11.0=pyhd8ed1ab_0
- dataclasses=0.8=pyhc8e2a94_3
- debugpy=1.5.1=py38h885f38d_0
- decorator=5.1.1=pyhd8ed1ab_0
- defusedxml=0.7.1=pyhd8ed1ab_0
- entrypoints=0.3=pyhd8ed1ab_1003
- executing=0.8.2=pyhd8ed1ab_0
- flit-core=3.6.0=pyhd8ed1ab_0
- fontconfig=2.13.1=h1989441_1005
- fonttools=4.28.5=py38h294d835_0
- freetype=2.10.4=h546665d_1
- gettext=0.19.8.1=ha2e2712_1008
- googledrivedownloader=0.4=pyhd3deb0d_1
- greenlet=1.1.2=py38h885f38d_1
- icu=68.2=h0e60522_0
- idna=3.3=pyhd8ed1ab_0
- importlib-metadata=4.10.0=py38haa244fe_0
- importlib_resources=5.4.0=pyhd8ed1ab_0
- intel-openmp=2022.0.0=h57928b3_3663
- ipykernel=6.7.0=py38h595d716_0
- ipython=8.0.0=py38haa244fe_0
- ipython_genutils=0.2.0=py_1
- ipywidgets=7.6.5=pyhd8ed1ab_0
- jbig=2.1=h8d14728_2003
- jedi=0.18.1=py38haa244fe_0
- jinja2=3.0.3=pyhd8ed1ab_0
- joblib=1.1.0=pyhd8ed1ab_0
- jpeg=9d=h8ffe710_0
- jsonschema=4.4.0=pyhd8ed1ab_0
- jupyter_client=7.1.1=pyhd8ed1ab_0
- jupyter_core=4.9.1=py38haa244fe_1
- jupyterlab_pygments=0.1.2=pyh9f0ad1d_0
- jupyterlab_widgets=1.0.2=pyhd8ed1ab_0
- kiwisolver=1.3.2=py38hbd9d945_1
- lcms2=2.12=h2a16943_0
- lerc=3.0=h0e60522_0
- libblas=3.9.0=6_mkl
- libbrotlicommon=1.0.9=h8ffe710_6
- libbrotlidec=1.0.9=h8ffe710_6
- libbrotlienc=1.0.9=h8ffe710_6
- libcblas=3.9.0=6_mkl
- libclang=11.1.0=default_h5c34c98_1
- libdeflate=1.8=h8ffe710_0
- libffi=3.4.2=h8ffe710_5
- libglib=2.70.2=h3be07f2_1
- libiconv=1.16=he774522_0
- liblapack=3.9.0=6_mkl
- liblapacke=3.9.0=6_mkl
- libpng=1.6.37=h1d00b33_2
- libsodium=1.0.18=h8d14728_1
- libtiff=4.3.0=hd413186_2
- libuv=1.43.0=h8ffe710_0
- libxml2=2.9.12=hf5bbc77_1
- libzlib=1.2.11=h8ffe710_1013
- lz4-c=1.9.3=h8ffe710_1
- m2w64-gcc-libgfortran=5.3.0=6
- m2w64-gcc-libs=5.3.0=7
- m2w64-gcc-libs-core=5.3.0=7
- m2w64-gmp=6.1.0=2
- m2w64-libwinpthread-git=5.0.0.4634.697f757=2
- markupsafe=2.0.1=py38h294d835_1
- matplotlib=3.5.1=py38haa244fe_0
- matplotlib-base=3.5.1=py38h1f000d6_0
- matplotlib-inline=0.1.3=pyhd8ed1ab_0
- mistune=0.8.4=py38h294d835_1005
- mkl=2020.4=hb70f87d_311
- msys2-conda-epoch=20160418=1
- munkres=1.1.4=pyh9f0ad1d_0
- mypy_extensions=0.4.3=py38haa244fe_4
- nbclient=0.5.10=pyhd8ed1ab_1
- nbconvert=6.4.0=py38haa244fe_0
- nbformat=5.1.3=pyhd8ed1ab_0
- nest-asyncio=1.5.4=pyhd8ed1ab_0
- networkx=2.6.3=pyhd8ed1ab_1
- ninja=1.10.2=h2d74725_1
- notebook=6.4.7=pyha770c72_0
- numpy=1.22.0=py38hcf66579_0
- olefile=0.46=pyh9f0ad1d_1
- openjpeg=2.4.0=hb211442_1
- openssl=1.1.1o=h2bbff1b_0
- packaging=21.3=pyhd8ed1ab_0
- pandas=1.3.5=py38h5d928e2_0
- pandoc=2.17=h8ffe710_0
- pandocfilters=1.5.0=pyhd8ed1ab_0
- parso=0.8.3=pyhd8ed1ab_0
- pathlib=1.0.1=py38haa244fe_5
- pathspec=0.9.0=pyhd8ed1ab_0
- pcre=8.45=h0e60522_0
- pickleshare=0.7.5=py_1003
- pillow=8.4.0=py38h794f750_0
- pip=21.2.2=py38haa95532_0
- pixman=0.40.0=h8ffe710_0
- platformdirs=2.3.0=pyhd8ed1ab_0
- prometheus_client=0.12.0=pyhd8ed1ab_0
- prompt-toolkit=3.0.24=pyha770c72_0
- pure_eval=0.2.1=pyhd8ed1ab_1
- pycairo=1.20.1=py38h979ce04_1
- pycparser=2.21=pyhd8ed1ab_0
- pygments=2.11.2=pyhd8ed1ab_0
- pyopenssl=21.0.0=pyhd8ed1ab_0
- pyparsing=3.0.6=pyhd8ed1ab_0
- pyqt=5.12.3=py38haa244fe_8
- pyqt-impl=5.12.3=py38h885f38d_8
- pyqt5-sip=4.19.18=py38h885f38d_8
- pyqtchart=5.12=py38h885f38d_8
- pyqtwebengine=5.12.1=py38h885f38d_8
- pyrsistent=0.18.0=py38h294d835_0
- pysocks=1.7.1=py38haa244fe_4
- python=3.8.12=h6244533_0
- python-dateutil=2.8.2=pyhd8ed1ab_0
- python-louvain=0.15=pyhd3deb0d_0
- python_abi=3.8=2_cp38
- pytorch=1.12.1=py3.8_cuda11.6_cudnn8_0
- pytorch-mutex=1.0=cuda
- pytorch-scatter=2.0.9=py38_torch_1.12.0_cu116
- pytz=2021.3=pyhd8ed1ab_0
- pywin32=303=py38h294d835_0
- pywinpty=0.5.7=py38_0
- pyyaml=6.0=py38h2bbff1b_1
- pyzmq=22.3.0=py38h09162b1_1
- qt=5.12.9=h5909a2a_4
- rdkit=2021.09.4=py38h6643f78_0
- reportlab=3.5.68=py38hc3ca807_1
- requests=2.27.1=pyhd8ed1ab_0
- runipy=0.1.5=py38_1
- scikit-learn=1.0.2=py38hb60ee80_0
- scipy=1.7.3=py38ha1292f7_0
- send2trash=1.8.0=pyhd8ed1ab_0
- setuptools=58.0.4=py38haa95532_0
- six=1.16.0=pyh6c4a22f_0
- sqlalchemy=1.4.29=py38h294d835_0
- sqlite=3.37.0=h2bbff1b_0
- stack_data=0.1.4=pyhd8ed1ab_0
- terminado=0.9.4=py38haa95532_0
- testpath=0.5.0=pyhd8ed1ab_0
- threadpoolctl=3.0.0=pyh8a188c0_0
- tk=8.6.11=h8ffe710_1
- tomli=1.2.2=pyhd8ed1ab_0
- torchdrug=0.1.2=ha710097
- tornado=6.1=py38h294d835_2
- tqdm=4.62.3=pyhd8ed1ab_0
- traitlets=5.1.1=pyhd8ed1ab_0
- typed-ast=1.5.1=py38h294d835_0
- typing_extensions=4.0.1=pyha770c72_0
- unicodedata2=14.0.0=py38h294d835_0
- urllib3=1.26.8=pyhd8ed1ab_1
- vc=14.2=h21ff451_1
- vs2015_runtime=14.27.29016=h5e58377_2
- wcwidth=0.2.5=pyh9f0ad1d_2
- webencodings=0.5.1=py_1
- wheel=0.37.1=pyhd3eb1b0_0
- widgetsnbextension=3.5.2=py38haa244fe_1
- win_inet_pton=1.1.0=py38haa244fe_3
- wincertstore=0.2=py38haa95532_2
- winpty=0.4.3=4
- xz=5.2.5=h62dcd97_1
- yacs=0.1.6=py_0
- yaml=0.2.5=h8ffe710_2
- zeromq=4.3.4=h0e60522_1
- zipp=3.7.0=pyhd8ed1ab_0
- zlib=1.2.11=h8ffe710_1013
- zstd=1.5.1=h6255e5f_0
- pip:
- pbr==5.8.0
- pysmiles==1.0.1
- rdkit-heatmap==0.1
- torch-cluster==1.6.0
- torch-geometric==2.1.0.post1
- torch-sparse==0.6.15
- torch-spline-conv==1.2.1
prefix: C:\Users\Mastro\anaconda3\envs\edgeshaper_env