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gnnma_gpu.yml
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name: gnnma
channels:
- pyg
- pytorch
- dglteam
- nvidia
- anaconda
- conda-forge
- defaults
dependencies:
- _libgcc_mutex=0.1=main
- _openmp_mutex=5.1=1_gnu
- abseil-cpp=20230802.0=h6a678d5_2
- absl-py=2.1.0=py39h06a4308_0
- aiohttp=3.9.3=py39h5eee18b_0
- aiosignal=1.2.0=pyhd3eb1b0_0
- asttokens=2.0.5=pyhd3eb1b0_0
- async-timeout=4.0.3=py39h06a4308_0
- attrs=23.1.0=py39h06a4308_0
- backcall=0.2.0=pyhd3eb1b0_0
- blas=1.0=mkl
- blinker=1.6.2=py39h06a4308_0
- brotli-python=1.0.9=py39h6a678d5_7
- bzip2=1.0.8=h5eee18b_5
- c-ares=1.19.1=h5eee18b_0
- ca-certificates=2024.3.11=h06a4308_0
- cachetools=5.3.3=py39h06a4308_0
- certifi=2024.2.2=py39h06a4308_0
- cffi=1.16.0=py39h5eee18b_1
- charset-normalizer=2.0.4=pyhd3eb1b0_0
- click=8.1.7=py39h06a4308_0
- cloudpickle=3.0.0=pyhd8ed1ab_0
- comm=0.1.2=py39h06a4308_0
- cryptography=42.0.5=py39hdda0065_0
- cuda-cccl=12.4.99=0
- cuda-command-line-tools=12.1.1=0
- cuda-compiler=12.4.0=0
- cuda-cudart=12.1.105=0
- cuda-cudart-dev=12.1.105=0
- cuda-cudart-static=12.1.105=0
- cuda-cuobjdump=12.4.99=0
- cuda-cupti=12.1.105=0
- cuda-cupti-static=12.1.105=0
- cuda-cuxxfilt=12.4.99=0
- cuda-documentation=12.4.99=0
- cuda-driver-dev=12.4.99=0
- cuda-gdb=12.4.99=0
- cuda-libraries=12.1.0=0
- cuda-libraries-dev=12.1.0=0
- cuda-libraries-static=12.1.0=0
- cuda-nsight=12.4.99=0
- cuda-nsight-compute=12.4.0=0
- cuda-nvcc=12.4.99=0
- cuda-nvdisasm=12.4.99=0
- cuda-nvml-dev=12.4.99=0
- cuda-nvprof=12.4.99=0
- cuda-nvprune=12.4.99=0
- cuda-nvrtc=12.1.105=0
- cuda-nvrtc-dev=12.1.105=0
- cuda-nvrtc-static=12.1.105=0
- cuda-nvtx=12.1.105=0
- cuda-nvvp=12.4.99=0
- cuda-opencl=12.4.99=0
- cuda-opencl-dev=12.4.99=0
- cuda-profiler-api=12.4.99=0
- cuda-runtime=12.1.0=0
- cuda-sanitizer-api=12.4.99=0
- cuda-toolkit=12.1.0=0
- cuda-tools=12.1.0=0
- cuda-visual-tools=12.1.0=0
- debugpy=1.6.7=py39h6a678d5_0
- decorator=5.1.1=pyhd3eb1b0_0
- dgl-cuda10.2=0.9.1post1=py39_0
- dgllife=0.3.2=pyhd8ed1ab_0
- exceptiongroup=1.2.0=py39h06a4308_0
- executing=0.8.3=pyhd3eb1b0_0
- ffmpeg=4.3=hf484d3e_0
- filelock=3.13.1=py39h06a4308_0
- freetype=2.12.1=h4a9f257_0
- frozenlist=1.4.0=py39h5eee18b_0
- fsspec=2024.3.1=py39h06a4308_0
- future=1.0.0=pyhd8ed1ab_0
- gds-tools=1.9.0.20=0
- gmp=6.2.1=h295c915_3
- gmpy2=2.1.2=py39heeb90bb_0
- gnutls=3.6.15=he1e5248_0
- google-auth=2.6.0=pyhd3eb1b0_0
- google-auth-oauthlib=0.5.2=py39h06a4308_0
- grpc-cpp=1.48.2=he1ff14a_4
- grpcio=1.48.2=py39he1ff14a_4
- gtest=1.14.0=hdb19cb5_0
- hyperopt=0.2.7=pyhd8ed1ab_0
- idna=3.4=py39h06a4308_0
- importlib-metadata=6.0.0=py39h06a4308_0
- importlib_metadata=6.0.0=hd3eb1b0_0
- intel-openmp=2023.1.0=hdb19cb5_46306
- ipykernel=6.25.0=py39h2f386ee_0
- ipython=8.15.0=py39h06a4308_0
- jedi=0.18.1=py39h06a4308_1
- jinja2=3.1.3=py39h06a4308_0
- joblib=1.4.0=py39h06a4308_0
- jpeg=9e=h5eee18b_1
- jupyter_client=8.6.0=py39h06a4308_0
- jupyter_core=5.5.0=py39h06a4308_0
- lame=3.100=h7b6447c_0
- lcms2=2.12=h3be6417_0
- ld_impl_linux-64=2.38=h1181459_1
- lerc=3.0=h295c915_0
- libcublas=12.1.0.26=0
- libcublas-dev=12.1.0.26=0
- libcublas-static=12.1.0.26=0
- libcufft=11.0.2.4=0
- libcufft-dev=11.0.2.4=0
- libcufft-static=11.0.2.4=0
- libcufile=1.9.0.20=0
- libcufile-dev=1.9.0.20=0
- libcufile-static=1.9.0.20=0
- libcurand=10.3.5.119=0
- libcurand-dev=10.3.5.119=0
- libcurand-static=10.3.5.119=0
- libcusolver=11.4.4.55=0
- libcusolver-dev=11.4.4.55=0
- libcusolver-static=11.4.4.55=0
- libcusparse=12.0.2.55=0
- libcusparse-dev=12.0.2.55=0
- libcusparse-static=12.0.2.55=0
- libdeflate=1.17=h5eee18b_1
- libffi=3.4.4=h6a678d5_0
- libgcc-ng=11.2.0=h1234567_1
- libgfortran-ng=11.2.0=h00389a5_1
- libgfortran5=11.2.0=h1234567_1
- libgomp=11.2.0=h1234567_1
- libiconv=1.16=h7f8727e_2
- libidn2=2.3.4=h5eee18b_0
- libjpeg-turbo=2.0.0=h9bf148f_0
- libnpp=12.0.2.50=0
- libnpp-dev=12.0.2.50=0
- libnpp-static=12.0.2.50=0
- libnvjitlink=12.1.105=0
- libnvjitlink-dev=12.1.105=0
- libnvjpeg=12.1.1.14=0
- libnvjpeg-dev=12.1.1.14=0
- libnvjpeg-static=12.1.1.14=0
- libnvvm-samples=12.1.105=0
- libpng=1.6.39=h5eee18b_0
- libprotobuf=3.20.3=he621ea3_0
- libsodium=1.0.18=h7b6447c_0
- libstdcxx-ng=11.2.0=h1234567_1
- libtasn1=4.19.0=h5eee18b_0
- libtiff=4.5.1=h6a678d5_0
- libunistring=0.9.10=h27cfd23_0
- libwebp-base=1.3.2=h5eee18b_0
- littleutils=0.2.2=py_0
- llvm-openmp=14.0.6=h9e868ea_0
- lz4-c=1.9.4=h6a678d5_0
- markdown=3.4.1=py39h06a4308_0
- markupsafe=2.1.3=py39h5eee18b_0
- matplotlib-inline=0.1.6=py39h06a4308_0
- mkl=2023.1.0=h213fc3f_46344
- mkl-service=2.4.0=py39h5eee18b_1
- mkl_fft=1.3.8=py39h5eee18b_0
- mkl_random=1.2.4=py39hdb19cb5_0
- mpc=1.1.0=h10f8cd9_1
- mpfr=4.0.2=hb69a4c5_1
- mpmath=1.3.0=py39h06a4308_0
- multidict=6.0.4=py39h5eee18b_0
- ncurses=6.4=h6a678d5_0
- nest-asyncio=1.5.6=py39h06a4308_0
- nettle=3.7.3=hbbd107a_1
- networkx=3.1=py39h06a4308_0
- nsight-compute=2024.1.0.13=0
- numpy=1.26.4=py39h5f9d8c6_0
- numpy-base=1.26.4=py39hb5e798b_0
- oauthlib=3.2.2=py39h06a4308_0
- ogb=1.3.6=pyhd8ed1ab_0
- openh264=2.1.1=h4ff587b_0
- openjpeg=2.4.0=h3ad879b_0
- openssl=3.0.13=h7f8727e_2
- outdated=0.2.2=pyhd8ed1ab_0
- parso=0.8.3=pyhd3eb1b0_0
- pexpect=4.8.0=pyhd3eb1b0_3
- pickleshare=0.7.5=pyhd3eb1b0_1003
- pillow=10.2.0=py39h5eee18b_0
- pip=23.3.1=py39h06a4308_0
- platformdirs=3.10.0=py39h06a4308_0
- prompt-toolkit=3.0.43=py39h06a4308_0
- protobuf=3.20.3=py39h6a678d5_0
- ptyprocess=0.7.0=pyhd3eb1b0_2
- pure_eval=0.2.2=pyhd3eb1b0_0
- py4j=0.10.9.7=pyhd8ed1ab_0
- pyasn1=0.4.8=pyhd3eb1b0_0
- pyasn1-modules=0.2.8=py_0
- pybind11-abi=4=hd3eb1b0_1
- pycparser=2.21=pyhd3eb1b0_0
- pyg=2.5.2=py39_torch_2.2.0_cu121
- pygments=2.15.1=py39h06a4308_1
- pyjwt=2.4.0=py39h06a4308_0
- pyopenssl=24.0.0=py39h06a4308_0
- pysocks=1.7.1=py39h06a4308_0
- python=3.9.18=h955ad1f_0
- python_abi=3.9=2_cp39
- pytorch=2.2.1=py3.9_cuda12.1_cudnn8.9.2_0
- pytorch-cuda=12.1=ha16c6d3_5
- pytorch-mutex=1.0=cuda
- pytz=2024.1=pyhd8ed1ab_0
- pyyaml=6.0.1=py39h5eee18b_0
- pyzmq=25.1.0=py39h6a678d5_0
- re2=2022.04.01=h295c915_0
- readline=8.2=h5eee18b_0
- requests=2.31.0=py39h06a4308_1
- requests-oauthlib=1.3.0=py_0
- rsa=4.7.2=pyhd3eb1b0_1
- scikit-learn=1.4.2=py39h1128e8f_1
- scipy=1.13.0=py39h5f9d8c6_0
- setuptools=68.2.2=py39h06a4308_0
- six=1.16.0=pyhd3eb1b0_1
- sqlite=3.41.2=h5eee18b_0
- stack_data=0.2.0=pyhd3eb1b0_0
- sympy=1.12=py39h06a4308_0
- tbb=2021.8.0=hdb19cb5_0
- tensorboard=2.12.1=py39h06a4308_0
- tensorboard-data-server=0.7.0=py39h52d8a92_0
- tensorboard-plugin-wit=1.8.1=py39h06a4308_0
- tensorboardx=2.2=pyhd3eb1b0_0
- threadpoolctl=2.2.0=pyh0d69192_0
- tk=8.6.12=h1ccaba5_0
- torchaudio=2.2.1=py39_cu121
- torchtriton=2.2.0=py39
- torchvision=0.17.1=py39_cu121
- tornado=6.3.3=py39h5eee18b_0
- tqdm=4.66.2=py39h2f386ee_0
- traitlets=5.7.1=py39h06a4308_0
- typing_extensions=4.9.0=py39h06a4308_1
- urllib3=2.1.0=py39h06a4308_1
- wcwidth=0.2.5=pyhd3eb1b0_0
- werkzeug=2.3.8=py39h06a4308_0
- wheel=0.41.2=py39h06a4308_0
- xz=5.4.6=h5eee18b_0
- yaml=0.2.5=h7b6447c_0
- yarl=1.9.3=py39h5eee18b_0
- zeromq=4.3.4=h2531618_0
- zlib=1.2.13=h5eee18b_0
- zstd=1.5.5=hc292b87_0
- pip:
- annotated-types==0.6.0
- contourpy==1.2.1
- cycler==0.12.1
- dill==0.3.8
- fair-esm==2.0.0
- fonttools==4.51.0
- importlib-resources==6.4.0
- kiwisolver==1.4.5
- lmdb==1.4.1
- matplotlib==3.8.4
- ninja==1.11.1.1
- nvidia-ml-py==12.535.133
- nvitop==1.3.2
- packaging==24.0
- pandas==2.2.2
- psutil==5.9.8
- pydantic==2.7.1
- pydantic-core==2.18.2
- pyparsing==3.1.2
- python-dateutil==2.9.0.post0
- rdkit-pypi==2022.9.5
- seaborn==0.13.2
- termcolor==2.4.0
- torch-cluster==1.6.3
- torch-scatter==2.1.2
- torchdata==0.7.1
- torchdrug==0.2.1
- tzdata==2024.1
- zipp==3.18.1