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environment.yml
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name: SINGA
channels:
- conda-forge
- defaults
dependencies:
- _libgcc_mutex=0.1=conda_forge
- _openmp_mutex=4.5=2_gnu
- bzip2=1.0.8=h7b6447c_0
- ca-certificates=2023.08.22=h06a4308_0
- cairo=1.18.0=h3faef2a_0
- expat=2.5.0=hcb278e6_1
- font-ttf-dejavu-sans-mono=2.37=hab24e00_0
- font-ttf-inconsolata=3.000=h77eed37_0
- font-ttf-source-code-pro=2.038=h77eed37_0
- font-ttf-ubuntu=0.83=hab24e00_0
- fontconfig=2.14.2=h14ed4e7_0
- fonts-conda-ecosystem=1=0
- fonts-conda-forge=1=0
- freetype=2.12.1=h267a509_2
- gettext=0.21.1=h27087fc_0
- icu=73.2=h59595ed_0
- intel-openmp=2023.1.0=hdb19cb5_46305
- ld_impl_linux-64=2.38=h1181459_1
- libexpat=2.5.0=hcb278e6_1
- libffi=3.4.4=h6a678d5_0
- libgcc-ng=13.2.0=h807b86a_2
- libglib=2.78.0=hebfc3b9_0
- libgomp=13.2.0=h807b86a_2
- libiconv=1.17=h166bdaf_0
- libnsl=2.0.0=hd590300_1
- libpng=1.6.39=h753d276_0
- libsqlite=3.43.2=h2797004_0
- libstdcxx-ng=13.2.0=h7e041cc_2
- libuuid=2.38.1=h0b41bf4_0
- libxcb=1.15=h0b41bf4_0
- libxml2=2.11.5=h232c23b_1
- libzlib=1.2.13=hd590300_5
- mkl=2023.1.0=h213fc3f_46343
- mkl-service=2.4.0=py310h5eee18b_1
- ncurses=6.4=h6a678d5_0
- openbabel=3.1.1=py310h956b46e_8
- openssl=3.1.3=hd590300_0
- pcre2=10.40=hc3806b6_0
- pip=23.2.1=py310h06a4308_0
- pixman=0.42.2=h59595ed_0
- pthread-stubs=0.4=h36c2ea0_1001
- python=3.10.12=hd12c33a_0_cpython
- python_abi=3.10=4_cp310
- readline=8.2=h5eee18b_0
- setuptools=68.0.0=py310h06a4308_0
- sqlite=3.41.2=h5eee18b_0
- tbb=2021.8.0=hdb19cb5_0
- tk=8.6.12=h1ccaba5_0
- wheel=0.41.2=py310h06a4308_0
- xorg-kbproto=1.0.7=h7f98852_1002
- xorg-libice=1.1.1=hd590300_0
- xorg-libsm=1.2.4=h7391055_0
- xorg-libx11=1.8.7=h8ee46fc_0
- xorg-libxau=1.0.11=hd590300_0
- xorg-libxdmcp=1.1.3=h7f98852_0
- xorg-libxext=1.3.4=h0b41bf4_2
- xorg-libxrender=0.9.11=hd590300_0
- xorg-renderproto=0.11.1=h7f98852_1002
- xorg-xextproto=7.3.0=h0b41bf4_1003
- xorg-xproto=7.0.31=h7f98852_1007
- xz=5.4.2=h5eee18b_0
- zlib=1.2.13=hd590300_5
- pip:
- absl-py==2.0.0
- aiohttp==3.8.6
- aiosignal==1.3.1
- alabaster==0.7.13
- annotated-types==0.6.0
- async-timeout==4.0.3
- attrs==23.1.0
- babel==2.13.0
- bel-resources==0.0.3
- biopandas==0.4.1
- bioregistry==0.10.58
- cachetools==5.3.1
- certifi==2022.12.7
- charset-normalizer==2.1.1
- click==8.1.7
- click-plugins==1.1.1
- contourpy==1.1.1
- curies==0.6.4
- cycler==0.12.1
- dgl==1.1.2
- docutils==0.20.1
- e3nn==0.5.1
- easydict==1.10
- filelock==3.9.0
- fonttools==4.43.1
- frozenlist==1.4.0
- fsspec==2023.4.0
- google-auth==2.23.3
- google-auth-oauthlib==1.0.0
- greenlet==3.0.0
- grpcio==1.59.0
- humanize==4.8.0
- idna==3.4
- imagesize==1.4.1
- jinja2==3.1.2
- joblib==1.3.2
- jsonschema==4.19.1
- jsonschema-specifications==2023.7.1
- kiwisolver==1.4.5
- lightning-utilities==0.9.0
- markdown==3.5
- markupsafe==2.1.2
- matplotlib==3.8.0
- more-click==0.1.2
- more-itertools==10.1.0
- mpmath==1.3.0
- multidict==6.0.4
- multisplitby==0.0.1
- networkx==3.0
- numpy==1.24.1
- numpydoc==1.6.0
- oauthlib==3.2.2
- oddt==0.7
- opt-einsum==3.3.0
- opt-einsum-fx==0.1.4
- packaging==23.2
- pandas==2.1.1
- pillow==9.3.0
- protobuf==4.24.4
- psutil==5.9.5
- psycopg2-binary==2.9.9
- pyasn1==0.5.0
- pyasn1-modules==0.3.0
- pybel==0.15.5
- pydantic==2.4.2
- pydantic-core==2.10.1
- pygments==2.16.1
- pyparsing==3.1.1
- pystow==0.5.0
- python-dateutil==2.8.2
- pytorch-lightning==2.0.6
- pytrie==0.4.0
- pytz==2023.3.post1
- pyyaml==6.0.1
- ratelimit==2.2.1
- rdkit==2023.3.3
- referencing==0.30.2
- requests==2.28.1
- requests-file==1.5.1
- requests-oauthlib==1.3.1
- rpds-py==0.10.6
- rsa==4.9
- scikit-learn==1.3.1
- scipy==1.11.3
- six==1.16.0
- snowballstemmer==2.2.0
- sortedcontainers==2.4.0
- sphinx==7.2.6
- sphinxcontrib-applehelp==1.0.7
- sphinxcontrib-devhelp==1.0.5
- sphinxcontrib-htmlhelp==2.0.4
- sphinxcontrib-jsmath==1.0.1
- sphinxcontrib-qthelp==1.0.6
- sphinxcontrib-serializinghtml==1.1.9
- sqlalchemy==2.0.21
- sympy==1.12
- tabulate==0.9.0
- tensorboard==2.14.1
- tensorboard-data-server==0.7.1
- termcolor==2.3.0
- threadpoolctl==3.2.0
- tomli==2.0.1
- torch==2.1.0+cu121
- torch-cluster==1.6.3
- torch-geometric==2.3.1
- torch-scatter==2.1.1
- torch-sparse==0.6.17
- torchaudio==2.1.0+cu121
- torchmetrics==1.2.0
- torchvision==0.16.0+cu121
- tqdm==4.66.1
- triton==2.1.0
- typing-extensions==4.8.0
- tzdata==2023.3
- urllib3==1.26.13
- werkzeug==3.0.0
- yarl==1.9.2