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environment.yaml
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name: ogb
channels:
- rdkit
- https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/msys2/
- https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/conda-forge
- https://mirrors.tuna.tsinghua.edu.cn/anaconda/pkgs/free/
- rmg
- conda-forge
- pytorch
- https://mirrors.bfsu.edu.cn/anaconda/cloud/pytorch
- https://mirrors.bfsu.edu.cn/anaconda/pkgs/r
- https://mirrors.bfsu.edu.cn/anaconda/pkgs/main
- defaults
dependencies:
- _libgcc_mutex=0.1=conda_forge
- _openmp_mutex=4.5=2_gnu
- ca-certificates=2022.9.24=ha878542_0
- ld_impl_linux-64=2.36.1=hea4e1c9_2
- libffi=3.4.2=h7f98852_5
- libgcc-ng=12.1.0=h8d9b700_16
- libgomp=12.1.0=h8d9b700_16
- libnsl=2.0.0=h7f98852_0
- libsqlite=3.39.3=h753d276_0
- libstdcxx-ng=12.1.0=ha89aaad_16
- libzlib=1.2.12=h166bdaf_3
- ncurses=6.3=h27087fc_1
- openssl=1.1.1q=h166bdaf_0
- pip=21.2.4=pyhd8ed1ab_0
- python=3.6.15=hb7a2778_0_cpython
- python_abi=3.6=2_cp36m
- readline=8.1.2=h0f457ee_0
- setuptools=49.6.0=py36h5fab9bb_3
- sqlite=3.39.3=h4ff8645_0
- tk=8.6.12=h27826a3_0
- wheel=0.37.1=pyhd8ed1ab_0
- xz=5.2.6=h166bdaf_0
- pip:
- absl-py==1.2.0
- backcall==0.2.0
- cachetools==4.2.4
- certifi==2022.9.24
- charset-normalizer==2.0.12
- cycler==0.11.0
- dataclasses==0.8
- decorator==4.4.2
- entrypoints==0.4
- gensim==4.2.0
- google-auth==2.12.0
- google-auth-oauthlib==0.4.6
- googledrivedownloader==0.4
- grpcio==1.48.2
- idna==3.4
- importlib-metadata==4.8.3
- importlib-resources==5.4.0
- ipykernel==5.5.6
- ipython==7.16.3
- ipython-genutils==0.2.0
- isodate==0.6.1
- jedi==0.17.2
- jinja2==3.0.3
- joblib==1.1.0
- jupyter-client==7.1.2
- jupyter-core==4.9.2
- kiwisolver==1.3.1
- markdown==3.3.7
- markupsafe==2.0.1
- matplotlib==3.3.4
- mol2vec==0.1
- nest-asyncio==1.5.6
- networkx==2.5.1
- numpy==1.19.5
- oauthlib==3.2.1
- pandas==1.1.5
- parso==0.7.1
- pexpect==4.8.0
- pickleshare==0.7.5
- pillow==8.4.0
- prompt-toolkit==3.0.31
- protobuf==3.19.6
- ptyprocess==0.7.0
- pyasn1==0.4.8
- pyasn1-modules==0.2.8
- pygments==2.13.0
- pyparsing==3.0.9
- python-dateutil==2.8.2
- pytz==2022.4
- pyyaml==6.0
- pyzmq==24.0.1
- rdflib==5.0.0
- rdkit-pypi==2021.9.4
- requests==2.27.1
- requests-oauthlib==1.3.1
- rsa==4.9
- scikit-learn==0.24.2
- scipy==1.5.4
- seaborn==0.11.2
- six==1.16.0
- smart-open==6.2.0
- tensorboard==2.10.1
- tensorboard-data-server==0.6.1
- tensorboard-plugin-wit==1.8.1
- tensorboardx==2.5.1
- texttable==1.6.4
- threadpoolctl==3.1.0
- torch==1.10.2+cu113
- torch-cluster==1.5.9
- torch-geometric==2.0.3
- torch-scatter==2.0.9
- torch-sparse==0.6.12
- torch-spline-conv==1.2.1
- torchvision==0.11.3+cu113
- tornado==6.1
- tqdm==4.64.1
- traitlets==4.3.3
- typing-extensions==4.1.1
- urllib3==1.26.12
- wcwidth==0.2.5
- werkzeug==2.0.3
- yacs==0.1.8
- zipp==3.6.0
prefix: /usr/local/miniconda3/envs/ogb