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env.yml
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env.yml
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name: gd_dl
channels:
- pyg
- pytorch
- openbabel
- dglteam
- anaconda
- conda-forge
- defaults
dependencies:
- _libgcc_mutex=0.1=main
- _openmp_mutex=4.5=1_gnu
- argh=0.26.2=pyh9f0ad1d_1002
- blas=1.0=mkl
- boost=1.70.0=py37h9de70de_1
- boost-cpp=1.70.0=ha2d47e9_1
- brotli=1.0.9=he6710b0_2
- brotlipy=0.7.0=py37h5e8e339_1001
- bzip2=1.0.8=h7f98852_4
- ca-certificates=2023.05.30=h06a4308_0
- cairo=1.16.0=h18b612c_1001
- certifi=2022.12.7=pyhd8ed1ab_0
- cffi=1.14.6=py37h400218f_0
- chardet=4.0.0=py37h89c1867_2
- charset-normalizer=2.0.0=pyhd8ed1ab_0
- click=8.0.3=py37h89c1867_1
- colorama=0.4.4=pyh9f0ad1d_0
- configparser=5.1.0=pyhd8ed1ab_0
- cryptography=35.0.0=py37h5d9358c_0
- cudatoolkit=11.1.1=h6406543_8
- cycler=0.10.0=py37_0
- dbus=1.13.18=hb2f20db_0
- decorator=4.4.2=py_0
- dgl-cuda11.1=0.7.2=py37_0
- docker-pycreds=0.4.0=py_0
- et_xmlfile=1.1.0=py37h06a4308_0
- expat=2.4.1=h2531618_2
- fontconfig=2.13.1=h6c09931_0
- fonttools=4.25.0=pyhd3eb1b0_0
- freetype=2.10.4=h0708190_1
- gitdb=4.0.9=pyhd8ed1ab_0
- gitpython=3.1.24=pyhd8ed1ab_0
- glib=2.69.1=h5202010_0
- googledrivedownloader=0.4=pyhd3deb0d_1
- gql=0.1.0=py_0
- graphql-core=3.1.6=pyhd8ed1ab_0
- gst-plugins-base=1.14.0=h8213a91_2
- gstreamer=1.14.0=h28cd5cc_2
- icu=58.2=he6710b0_3
- idna=3.1=pyhd3deb0d_0
- importlib-metadata=4.8.2=py37h89c1867_0
- intel-openmp=2021.4.0=h06a4308_3561
- jinja2=3.0.3=pyhd8ed1ab_0
- joblib=1.1.0=pyhd3eb1b0_0
- jpeg=9d=h36c2ea0_0
- kiwisolver=1.3.1=py37h2531618_0
- ld_impl_linux-64=2.35.1=h7274673_9
- libffi=3.3=he6710b0_2
- libgcc-ng=9.3.0=h5101ec6_17
- libgfortran-ng=7.5.0=h14aa051_19
- libgfortran4=7.5.0=h14aa051_19
- libgomp=9.3.0=h5101ec6_17
- libllvm11=11.1.0=h3826bc1_1
- libpng=1.6.37=h21135ba_2
- libprotobuf=3.17.2=h780b84a_1
- libstdcxx-ng=9.3.0=hd4cf53a_17
- libtiff=4.0.10=hc3755c2_1005
- libuuid=1.0.3=h7f8727e_2
- libuv=1.42.0=h7f98852_0
- libxcb=1.14=h7b6447c_0
- libxml2=2.9.12=h03d6c58_0
- llvmlite=0.38.0=py37h4ff587b_0
- lz4-c=1.9.3=h9c3ff4c_1
- markupsafe=2.0.1=py37h5e8e339_0
- matplotlib=3.4.3=py37h06a4308_0
- matplotlib-base=3.4.3=py37hbbc1b5f_0
- mkl=2021.4.0=h06a4308_640
- mkl-service=2.4.0=py37h5e8e339_0
- mkl_fft=1.3.1=py37hd3c417c_0
- mkl_random=1.2.2=py37h219a48f_0
- munkres=1.1.4=py_0
- ncurses=6.3=h7f8727e_2
- networkx=2.5=py_0
- ninja=1.10.2=h4bd325d_0
- numba=0.55.1=py37h51133e4_0
- numpy=1.21.2=py37h20f2e39_0
- numpy-base=1.21.2=py37h79a1101_0
- nvidia-ml=7.352.0=py_0
- olefile=0.46=pyh9f0ad1d_1
- openbabel=2.4.1=py37_6
- openpyxl=3.0.9=pyhd3eb1b0_0
- openssl=1.1.1u=h7f8727e_0
- pandas=1.2.5=py37h219a48f_0
- pathtools=0.1.2=py_1
- pcre=8.45=h295c915_0
- pillow=6.2.1=py37h6b7be26_0
- pip=21.2.2=py37h06a4308_0
- pixman=0.38.0=h516909a_1003
- promise=2.3=py37h89c1867_5
- protobuf=3.17.2=py37hcd2ae1e_0
- psutil=5.8.0=py37h5e8e339_1
- pycairo=1.20.1=py37hfff247e_0
- pycparser=2.21=pyhd8ed1ab_0
- pyopenssl=21.0.0=pyhd8ed1ab_0
- pyparsing=3.0.6=pyhd8ed1ab_0
- pyqt=5.9.2=py37h05f1152_2
- pysocks=1.7.1=py37h89c1867_4
- python=3.7.11=h12debd9_0
- python-dateutil=2.8.2=pyhd8ed1ab_0
- python-louvain=0.15=pyhd3deb0d_0
- python_abi=3.7=2_cp37m
- pytorch=1.9.1=py3.7_cuda11.1_cudnn8.0.5_0
- pytorch-cluster=1.5.9=py37_torch_1.9.0_cu111
- pytorch-scatter=2.0.9=py37_torch_1.9.0_cu111
- pytorch-sparse=0.6.12=py37_torch_1.9.0_cu111
- pytorch-spline-conv=1.2.1=py37_torch_1.9.0_cu111
- pytz=2021.3=pyhd8ed1ab_0
- pyyaml=5.4.1=py37h5e8e339_0
- qt=5.9.7=h5867ecd_1
- rdkit=2019.09.3=py37hb31dc5d_0
- readline=8.1=h27cfd23_0
- requests=2.26.0=pyhd8ed1ab_0
- scikit-learn=1.0.1=py37h51133e4_0
- scipy=1.7.1=py37h292c36d_2
- seaborn=0.11.0=py_0
- sentry-sdk=1.5.0=pyhd8ed1ab_0
- setuptools=58.0.4=py37h06a4308_0
- shortuuid=1.0.8=py37h89c1867_0
- sip=4.19.8=py37hf484d3e_0
- six=1.16.0=pyh6c4a22f_0
- smmap=3.0.5=pyh44b312d_0
- sqlite=3.36.0=hc218d9a_0
- subprocess32=3.5.4=py_1
- tbb=2021.5.0=hd09550d_0
- threadpoolctl=3.0.0=pyh8a188c0_0
- tk=8.6.11=h1ccaba5_0
- torchinfo=1.5.3=pyhd8ed1ab_0
- tornado=6.1=py37h27cfd23_0
- tqdm=4.62.3=pyhd8ed1ab_0
- typing_extensions=4.0.0=pyha770c72_0
- urllib3=1.26.7=pyhd8ed1ab_0
- watchdog=0.10.4=py37h89c1867_0
- wheel=0.37.0=pyhd3eb1b0_1
- xorg-kbproto=1.0.7=h7f98852_1002
- xorg-libice=1.0.10=h7f98852_0
- xorg-libsm=1.2.2=h470a237_5
- xorg-libx11=1.7.2=h7f98852_0
- xorg-libxext=1.3.4=h7f98852_1
- xorg-libxrender=0.9.10=h7f98852_1003
- xorg-renderproto=0.11.1=h7f98852_1002
- xorg-xextproto=7.3.0=h7f98852_1002
- xorg-xproto=7.0.31=h7f98852_1007
- xz=5.2.5=h7b6447c_0
- yacs=0.1.6=py_0
- yaml=0.2.5=h516909a_0
- zipp=3.6.0=pyhd8ed1ab_0
- zlib=1.2.11=h7b6447c_3
- zstd=1.4.9=ha95c52a_0
- pip:
- attrs==21.4.0
- bel-resources==0.0.3
- bioregistry==0.4.101
- click-plugins==1.1.1
- dataclasses-json==0.5.7
- greenlet==1.1.2
- humanize==4.0.0
- importlib-resources==5.7.1
- isodate==0.6.1
- jsonschema==4.4.0
- marshmallow==3.15.0
- marshmallow-enum==1.5.1
- more-click==0.1.1
- more-itertools==8.12.0
- multisplitby==0.0.1
- mypy-extensions==0.4.3
- packaging==21.3
- patsy==0.5.2
- pickle5==0.0.12
- psycopg2-binary==2.9.3
- pybel==0.15.5
- pybel-tools==0.9.1
- pydantic==1.9.0
- pyrsistent==0.18.1
- pystow==0.4.3
- ratelimit==2.2.1
- rdflib==6.1.1
- requests-file==1.5.1
- setproctitle==1.2.2
- sqlalchemy==1.4.36
- statsmodels==0.13.2
- tabulate==0.8.9
- torch-geometric==2.0.4
- typing-inspect==0.7.1
- wandb==0.12.21
prefix: /home/ccaa2013/anaconda3/envs/gd_dl