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environment.yml
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environment.yml
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name: gnn
channels:
- pytorch
- nvidia
- conda-forge
- defaults
dependencies:
- anyio=3.5.0=py38haa95532_0
- argon2-cffi=21.3.0=pyhd3eb1b0_0
- argon2-cffi-bindings=21.2.0=py38h2bbff1b_0
- asttokens=2.0.5=pyhd3eb1b0_0
- attrs=22.1.0=py38haa95532_0
- babel=2.11.0=py38haa95532_0
- backcall=0.2.0=pyhd3eb1b0_0
- beautifulsoup4=4.12.2=py38haa95532_0
- blas=1.0=mkl
- bleach=4.1.0=pyhd3eb1b0_0
- boost=1.74.0=py38he5193b3_5
- boost-cpp=1.74.0=h5b4e17d_6
- bottleneck=1.3.5=py38h080aedc_0
- brotli=1.0.9=h2bbff1b_7
- brotli-bin=1.0.9=h2bbff1b_7
- brotlipy=0.7.0=py38h2bbff1b_1003
- bzip2=1.0.8=h8ffe710_4
- ca-certificates=2023.01.10=haa95532_0
- cairo=1.16.0=h63a05c6_1001
- certifi=2023.5.7=py38haa95532_0
- cffi=1.15.1=py38h2bbff1b_3
- charset-normalizer=2.0.4=pyhd3eb1b0_0
- colorama=0.4.6=py38haa95532_0
- comm=0.1.2=py38haa95532_0
- contourpy=1.0.5=py38h59b6b97_0
- cryptography=39.0.1=py38h21b164f_0
- cuda-cccl=12.1.109=0
- cuda-cudart=11.8.89=0
- cuda-cudart-dev=11.8.89=0
- cuda-cupti=11.8.87=0
- cuda-libraries=11.8.0=0
- cuda-libraries-dev=11.8.0=0
- cuda-nvrtc=11.8.89=0
- cuda-nvrtc-dev=11.8.89=0
- cuda-nvtx=11.8.86=0
- cuda-profiler-api=12.1.105=0
- cuda-runtime=11.8.0=0
- cvxopt=1.3.1=py38hf2fec42_0
- cvxpy=1.3.1=py38haa244fe_0
- cvxpy-base=1.3.1=py38h5846ac1_0
- cycler=0.11.0=pyhd3eb1b0_0
- debugpy=1.5.1=py38hd77b12b_0
- decorator=5.1.1=pyhd3eb1b0_0
- defusedxml=0.7.1=pyhd3eb1b0_0
- dsdp=5.8=h6e01ec9_1203
- ecos=2.0.11=py38hbaf524b_0
- entrypoints=0.4=py38haa95532_0
- executing=0.8.3=pyhd3eb1b0_0
- fftw=3.3.10=nompi_h38027f0_107
- filelock=3.9.0=py38haa95532_0
- fonttools=4.25.0=pyhd3eb1b0_0
- freetype=2.12.1=ha860e81_0
- fuzzywuzzy=0.18.0=pyhd8ed1ab_0
- giflib=5.2.1=h8cc25b3_3
- glib=2.69.1=h5dc1a3c_2
- glpk=5.0=h8ffe710_0
- greenlet=2.0.2=py38hd3f51b4_1
- gsl=2.7=hdfb1a43_0
- gst-plugins-base=1.18.5=h9e645db_0
- gstreamer=1.18.5=hd78058f_0
- icu=58.2=ha925a31_3
- idna=3.4=py38haa95532_0
- importlib-metadata=6.0.0=py38haa95532_0
- importlib_metadata=6.0.0=hd3eb1b0_0
- importlib_resources=5.2.0=pyhd3eb1b0_1
- intel-openmp=2023.1.0=h59b6b97_46319
- ipykernel=6.19.2=py38hd4e2768_0
- ipython=8.12.0=py38haa95532_0
- ipython_genutils=0.2.0=pyhd3eb1b0_1
- ipywidgets=8.0.4=py38haa95532_0
- jedi=0.18.1=py38haa95532_1
- jinja2=3.1.2=py38haa95532_0
- joblib=1.2.0=pyhd8ed1ab_0
- jpeg=9e=h2bbff1b_1
- json5=0.9.6=pyhd3eb1b0_0
- jsonschema=4.17.3=py38haa95532_0
- jupyter=1.0.0=py38haa95532_8
- jupyter_client=8.1.0=py38haa95532_0
- jupyter_console=6.6.3=py38haa95532_0
- jupyter_core=5.3.0=py38haa95532_0
- jupyter_server=1.23.4=py38haa95532_0
- jupyterlab=3.5.3=py38haa95532_0
- jupyterlab_pygments=0.1.2=py_0
- jupyterlab_server=2.22.0=py38haa95532_0
- jupyterlab_widgets=3.0.5=py38haa95532_0
- kiwisolver=1.4.4=py38hd77b12b_0
- krb5=1.19.4=h5b6d351_0
- lerc=3.0=hd77b12b_0
- levenshtein=0.21.0=py38hd3f51b4_0
- libblas=3.9.0=1_h8933c1f_netlib
- libbrotlicommon=1.0.9=h2bbff1b_7
- libbrotlidec=1.0.9=h2bbff1b_7
- libbrotlienc=1.0.9=h2bbff1b_7
- libcblas=3.9.0=5_hd5c7e75_netlib
- libclang=14.0.6=default_hb5a9fac_1
- libclang13=14.0.6=default_h8e68704_1
- libcublas=11.11.3.6=0
- libcublas-dev=11.11.3.6=0
- libcufft=10.9.0.58=0
- libcufft-dev=10.9.0.58=0
- libcurand=10.3.2.106=0
- libcurand-dev=10.3.2.106=0
- libcusolver=11.4.1.48=0
- libcusolver-dev=11.4.1.48=0
- libcusparse=11.7.5.86=0
- libcusparse-dev=11.7.5.86=0
- libdeflate=1.17=h2bbff1b_0
- libffi=3.4.4=hd77b12b_0
- libiconv=1.16=h2bbff1b_2
- liblapack=3.9.0=5_hd5c7e75_netlib
- libnpp=11.8.0.86=0
- libnpp-dev=11.8.0.86=0
- libnvjpeg=11.9.0.86=0
- libnvjpeg-dev=11.9.0.86=0
- libogg=1.3.5=h2bbff1b_1
- libpng=1.6.39=h8cc25b3_0
- libqdldl=0.1.5=h63175ca_1
- libsodium=1.0.18=h62dcd97_0
- libtiff=4.5.0=h6c2663c_2
- libuv=1.44.2=h2bbff1b_0
- libvorbis=1.3.7=he774522_0
- libwebp=1.2.4=hbc33d0d_1
- libwebp-base=1.2.4=h2bbff1b_1
- libxml2=2.10.3=h0ad7f3c_0
- libxslt=1.1.37=h2bbff1b_0
- lxml=4.9.2=py38h2bbff1b_0
- lz4-c=1.9.4=h2bbff1b_0
- 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=2.1.1=py38h2bbff1b_0
- matplotlib=3.7.1=py38haa95532_1
- matplotlib-base=3.7.1=py38hf11a4ad_1
- matplotlib-inline=0.1.6=py38haa95532_0
- mistune=0.8.4=py38he774522_1000
- mkl=2023.1.0=h8bd8f75_46356
- mkl-service=2.4.0=py38h2bbff1b_1
- mkl_fft=1.3.6=py38hf11a4ad_1
- mkl_random=1.2.2=py38hf11a4ad_1
- mpmath=1.2.1=py38haa95532_0
- msys2-conda-epoch=20160418=1
- munkres=1.1.4=py_0
- nbclassic=0.5.5=py38haa95532_0
- nbclient=0.5.13=py38haa95532_0
- nbconvert=6.5.4=py38haa95532_0
- nbformat=5.7.0=py38haa95532_0
- nest-asyncio=1.5.6=py38haa95532_0
- networkx=3.1=pyhd8ed1ab_0
- notebook=6.5.4=py38haa95532_0
- notebook-shim=0.2.2=py38haa95532_0
- numexpr=2.8.4=py38h7b80656_1
- numpy=1.20.3=py38h749eb61_1
- numpy-base=1.20.3=py38h5bfbeaa_1
- openssl=1.1.1t=h2bbff1b_0
- osqp=0.6.2.post0=py38h5846ac1_4
- packaging=23.0=py38haa95532_0
- pandas=1.5.3=py38hf11a4ad_0
- pandoc=3.1.2=h57928b3_1
- pandocfilters=1.5.0=pyhd3eb1b0_0
- parso=0.8.3=pyhd3eb1b0_0
- pcre=8.45=hd77b12b_0
- pickleshare=0.7.5=pyhd3eb1b0_1003
- pillow=9.4.0=py38hd77b12b_0
- pip=23.0.1=py38haa95532_0
- pixman=0.38.0=hfa6e2cd_1003
- pkgutil-resolve-name=1.3.10=py38haa95532_0
- platformdirs=2.5.2=py38haa95532_0
- ply=3.11=py38_0
- prometheus_client=0.14.1=py38haa95532_0
- prompt-toolkit=3.0.36=py38haa95532_0
- prompt_toolkit=3.0.36=hd3eb1b0_0
- pure_eval=0.2.2=pyhd3eb1b0_0
- pycairo=1.23.0=py38h5818bea_0
- pycparser=2.21=pyhd3eb1b0_0
- pygments=2.15.1=py38haa95532_0
- pygsp=0.5.1=py_0
- pyopenssl=23.0.0=py38haa95532_0
- pyparsing=3.0.9=py38haa95532_0
- pyqt=5.15.7=py38hd77b12b_0
- pyqt5-sip=12.11.0=py38hd77b12b_0
- pyrsistent=0.18.0=py38h196d8e1_0
- pysocks=1.7.1=py38haa95532_0
- pytdc=0.3.8=pyhd8ed1ab_0
- python=3.8.16=h6244533_3
- python-dateutil=2.8.2=pyhd8ed1ab_0
- python-fastjsonschema=2.16.2=py38haa95532_0
- python-levenshtein=0.21.0=pyhd8ed1ab_0
- python_abi=3.8=2_cp38
- pytorch=2.0.1=py3.8_cuda11.8_cudnn8_0
- pytorch-cuda=11.8=h24eeafa_5
- pytorch-mutex=1.0=cuda
- pytz=2023.3=pyhd8ed1ab_0
- pywin32=305=py38h2bbff1b_0
- pywinpty=2.0.10=py38h5da7b33_0
- pyzmq=25.0.2=py38hd77b12b_0
- qdldl-python=0.1.5.post2=py38h5846ac1_0
- qt-main=5.15.2=he8e5bd7_8
- qt-webengine=5.15.9=hb9a9bb5_5
- qtconsole=5.4.2=py38haa95532_0
- qtpy=2.2.0=py38haa95532_0
- qtwebkit=5.212=h2bbfb41_5
- rapidfuzz=2.15.1=py38hd3f51b4_0
- rdkit=2022.03.5=py38hb311bc2_0
- reportlab=3.6.13=py38h6faf374_0
- requests=2.29.0=pyhd8ed1ab_0
- scikit-learn=0.22.1=py38h7208079_1
- scipy=1.8.1=py38h4990095_2
- scs=3.2.0=py38h32913a0_2
- seaborn=0.12.2=py38haa95532_0
- send2trash=1.8.0=pyhd3eb1b0_1
- setuptools=66.0.0=py38haa95532_0
- sip=6.6.2=py38hd77b12b_0
- six=1.16.0=pyh6c4a22f_0
- sniffio=1.2.0=py38haa95532_1
- soupsieve=2.4=py38haa95532_0
- sqlalchemy=2.0.13=py38h91455d4_0
- sqlite=3.41.2=h2bbff1b_0
- stack_data=0.2.0=pyhd3eb1b0_0
- sympy=1.11.1=py38haa95532_0
- tbb=2021.8.0=h59b6b97_0
- terminado=0.17.1=py38haa95532_0
- tinycss2=1.2.1=py38haa95532_0
- tk=8.6.12=h2bbff1b_0
- toml=0.10.2=pyhd3eb1b0_0
- tomli=2.0.1=py38haa95532_0
- tornado=6.2=py38h2bbff1b_0
- tqdm=4.65.0=pyhd8ed1ab_1
- traitlets=5.7.1=py38haa95532_0
- typing-extensions=4.5.0=py38haa95532_0
- typing_extensions=4.5.0=py38haa95532_0
- ucrt=10.0.22621.0=h57928b3_0
- urllib3=1.26.15=py38haa95532_0
- vc=14.2=h21ff451_1
- vc14_runtime=14.34.31931=h5081d32_16
- vs2015_runtime=14.34.31931=hed1258a_16
- wcwidth=0.2.5=pyhd3eb1b0_0
- webencodings=0.5.1=py38_1
- websocket-client=0.58.0=py38haa95532_4
- wheel=0.38.4=py38haa95532_0
- widgetsnbextension=4.0.5=py38haa95532_0
- win_inet_pton=1.1.0=py38haa95532_0
- winpty=0.4.3=4
- xz=5.4.2=h8cc25b3_0
- zeromq=4.3.4=hd77b12b_0
- zipp=3.11.0=py38haa95532_0
- zlib=1.2.13=h8cc25b3_0
- zstd=1.5.5=hd43e919_0
- pip:
- psutil==5.9.5
- torch-cluster==1.6.1+pt20cu118
- torch-geometric==2.3.1
- torch-scatter==2.1.1+pt20cu118
- torch-sparse==0.6.17+pt20cu118
- torch-spline-conv==1.2.2+pt20cu118
- torchaudio==2.0.2
- torchvision==0.15.2