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environment.yml
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name: KPGT
channels:
- pytorch
- dglteam
- conda-forge
- defaults
dependencies:
- _libgcc_mutex=0.1=main
- _openmp_mutex=5.1=1_gnu
- absl-py=0.15.0=pyhd3eb1b0_0
- aiohttp=3.8.1=py37h7f8727e_1
- aiosignal=1.2.0=pyhd3eb1b0_0
- async-timeout=4.0.1=pyhd3eb1b0_0
- asynctest=0.13.0=py_0
- attrs=21.4.0=pyhd3eb1b0_0
- blas=1.0=mkl
- blinker=1.4=py37h06a4308_0
- boost=1.74.0=py37h796e4cb_5
- boost-cpp=1.74.0=h312852a_4
- bottleneck=1.3.4=py37hce1f21e_0
- brotli=1.0.9=he6710b0_2
- brotlipy=0.7.0=py37h27cfd23_1003
- bzip2=1.0.8=h7b6447c_0
- c-ares=1.18.1=h7f8727e_0
- ca-certificates=2022.4.26=h06a4308_0
- cachetools=4.2.2=pyhd3eb1b0_0
- cairo=1.16.0=hf32fb01_1
- certifi=2022.5.18.1=py37h06a4308_0
- cffi=1.15.0=py37hd667e15_1
- charset-normalizer=2.0.4=pyhd3eb1b0_0
- click=8.0.4=py37h06a4308_0
- cryptography=3.4.8=py37hd23ed53_0
- cudatoolkit=11.3.1=h2bc3f7f_2
- cycler=0.11.0=pyhd3eb1b0_0
- dataclasses=0.8=pyh6d0b6a4_7
- decorator=5.1.1=pyhd3eb1b0_0
- dgl-cuda11.3=0.7.2=py37_0
- expat=2.4.8=h27087fc_0
- fontconfig=2.14.0=h8e229c2_0
- fonttools=4.25.0=pyhd3eb1b0_0
- freetype=2.11.0=h70c0345_0
- frozenlist=1.2.0=py37h7f8727e_0
- giflib=5.2.1=h7b6447c_0
- glib=2.69.1=h4ff587b_1
- google-auth=2.6.0=pyhd3eb1b0_0
- google-auth-oauthlib=0.4.1=py_2
- greenlet=1.1.1=py37h295c915_0
- grpcio=1.42.0=py37hce63b2e_0
- icu=68.1=h2531618_0
- idna=3.3=pyhd3eb1b0_0
- importlib-metadata=4.11.3=py37h06a4308_0
- intel-openmp=2021.4.0=h06a4308_3561
- jpeg=9e=h7f8727e_0
- kiwisolver=1.4.2=py37h295c915_0
- lcms2=2.12=h3be6417_0
- ld_impl_linux-64=2.38=h1181459_1
- libffi=3.3=he6710b0_2
- libgcc-ng=11.2.0=h1234567_0
- libgfortran-ng=7.5.0=ha8ba4b0_17
- libgfortran4=7.5.0=ha8ba4b0_17
- libgomp=11.2.0=h1234567_0
- libpng=1.6.37=hbc83047_0
- libprotobuf=3.20.1=h4ff587b_0
- libstdcxx-ng=11.2.0=h1234567_0
- libtiff=4.2.0=h2818925_1
- libuuid=2.32.1=h7f98852_1000
- libuv=1.40.0=h7b6447c_0
- libwebp=1.2.2=h55f646e_0
- libwebp-base=1.2.2=h7f8727e_0
- libxcb=1.15=h7f8727e_0
- lz4-c=1.9.3=h295c915_1
- markdown=3.3.4=py37h06a4308_0
- matplotlib-base=3.5.1=py37ha18d171_1
- mkl=2021.4.0=h06a4308_640
- mkl-service=2.4.0=py37h7f8727e_0
- mkl_fft=1.3.1=py37hd3c417c_0
- mkl_random=1.2.2=py37h51133e4_0
- multidict=5.2.0=py37h7f8727e_2
- munkres=1.1.4=py_0
- ncurses=6.3=h7f8727e_2
- networkx=2.2=py37_1
- numexpr=2.8.1=py37h6abb31d_0
- numpy=1.21.5=py37he7a7128_2
- numpy-base=1.21.5=py37hf524024_2
- oauthlib=3.2.0=pyhd3eb1b0_0
- openssl=1.1.1o=h7f8727e_0
- packaging=21.3=pyhd3eb1b0_0
- pandas=1.3.5=py37h8c16a72_0
- pcre=8.45=h295c915_0
- pillow=9.0.1=py37h22f2fdc_0
- pip=21.2.2=py37h06a4308_0
- pixman=0.40.0=h7f8727e_1
- protobuf=3.20.1=py37h295c915_0
- pyasn1=0.4.8=pyhd3eb1b0_0
- pyasn1-modules=0.2.8=py_0
- pycairo=1.19.1=py37h708ec4a_0
- pycparser=2.21=pyhd3eb1b0_0
- pyjwt=2.1.0=py37h06a4308_0
- pyopenssl=21.0.0=pyhd3eb1b0_1
- pyparsing=3.0.4=pyhd3eb1b0_0
- pysocks=1.7.1=py37_1
- python=3.7.13=h12debd9_0
- python-dateutil=2.8.2=pyhd3eb1b0_0
- python_abi=3.7=2_cp37m
- pytorch=1.10.0=py3.7_cuda11.3_cudnn8.2.0_0
- pytorch-mutex=1.0=cuda
- pytz=2021.3=pyhd3eb1b0_0
- rdkit=2021.09.2=py37h13c2175_0
- readline=8.1.2=h7f8727e_1
- reportlab=3.5.67=py37hfdd840d_1
- requests=2.27.1=pyhd3eb1b0_0
- requests-oauthlib=1.3.0=py_0
- rsa=4.7.2=pyhd3eb1b0_1
- scipy=1.7.3=py37hc147768_0
- setuptools=61.2.0=py37h06a4308_0
- six=1.16.0=pyhd3eb1b0_1
- sqlalchemy=1.4.32=py37h7f8727e_0
- sqlite=3.38.3=hc218d9a_0
- tensorboard=2.6.0=py_1
- tensorboard-data-server=0.6.0=py37hca6d32c_0
- tensorboard-plugin-wit=1.6.0=py_0
- tk=8.6.11=h1ccaba5_1
- typing-extensions=4.1.1=hd3eb1b0_0
- typing_extensions=4.1.1=pyh06a4308_0
- urllib3=1.26.9=py37h06a4308_0
- werkzeug=2.0.3=pyhd3eb1b0_0
- wheel=0.37.1=pyhd3eb1b0_0
- xz=5.2.5=h7f8727e_1
- yarl=1.6.3=py37h27cfd23_0
- zipp=3.8.0=py37h06a4308_0
- zlib=1.2.12=h7f8727e_2
- zstd=1.5.2=ha4553b6_0
- pip:
- cloudpickle==2.1.0
- dgllife==0.2.9
- future==0.18.2
- hyperopt==0.2.7
- joblib==1.1.0
- pandas-flavor==0.2.0
- py4j==0.10.9.5
- scikit-learn==1.0.2
- threadpoolctl==3.1.0
- tqdm==4.64.0
- xarray==0.20.2