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env.yaml
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env.yaml
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name: deep_pharma
channels:
- pyg
- pytorch
- conda-forge
- defaults
dependencies:
- _libgcc_mutex=0.1=conda_forge
- _openmp_mutex=4.5=2_gnu
- blas=1.0=mkl
- boost=1.74.0=py37h796e4cb_5
- boost-cpp=1.74.0=h75c5d50_8
- bottleneck=1.3.4=py37hda87dfa_1
- brotli=1.0.9=h166bdaf_7
- brotli-bin=1.0.9=h166bdaf_7
- brotlipy=0.7.0=py37h540881e_1004
- bzip2=1.0.8=h7f98852_4
- ca-certificates=2022.5.18.1=ha878542_0
- cairo=1.16.0=ha61ee94_1011
- certifi=2022.5.18.1=py37h89c1867_0
- cffi=1.15.0=py37h036bc23_0
- charset-normalizer=2.0.12=pyhd8ed1ab_0
- cryptography=37.0.1=py37h9ce1e76_0
- cudatoolkit=10.2.89=h713d32c_10
- cycler=0.11.0=pyhd8ed1ab_0
- expat=2.4.8=h27087fc_0
- ffmpeg=4.3=hf484d3e_0
- 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=2.14.0=h8e229c2_0
- fonts-conda-ecosystem=1=0
- fonts-conda-forge=1=0
- fonttools=4.33.3=py37h540881e_0
- freetype=2.10.4=h0708190_1
- gettext=0.19.8.1=h73d1719_1008
- giflib=5.2.1=h36c2ea0_2
- gmp=6.2.1=h58526e2_0
- gnutls=3.6.13=h85f3911_1
- greenlet=1.1.2=py37hd23a5d3_2
- icu=70.1=h27087fc_0
- idna=3.3=pyhd8ed1ab_0
- importlib-metadata=4.11.4=py37h89c1867_0
- intel-openmp=2021.4.0=h06a4308_3561
- jpeg=9e=h166bdaf_1
- kiwisolver=1.4.2=py37h7cecad7_1
- lame=3.100=h7f98852_1001
- lcms2=2.12=hddcbb42_0
- ld_impl_linux-64=2.36.1=hea4e1c9_2
- lerc=3.0=h9c3ff4c_0
- libbrotlicommon=1.0.9=h166bdaf_7
- libbrotlidec=1.0.9=h166bdaf_7
- libbrotlienc=1.0.9=h166bdaf_7
- libdeflate=1.10=h7f98852_0
- libffi=3.4.2=h7f98852_5
- libgcc-ng=12.1.0=h8d9b700_16
- libgfortran-ng=7.5.0=h14aa051_20
- libgfortran4=7.5.0=h14aa051_20
- libglib=2.70.2=h174f98d_4
- libgomp=12.1.0=h8d9b700_16
- libiconv=1.16=h516909a_0
- libnsl=2.0.0=h7f98852_0
- libpng=1.6.37=h21135ba_2
- libstdcxx-ng=12.1.0=ha89aaad_16
- libtiff=4.4.0=h0fcbabc_0
- libuuid=2.32.1=h7f98852_1000
- libuv=1.43.0=h7f98852_0
- libwebp=1.2.2=h3452ae3_0
- libwebp-base=1.2.2=h7f98852_1
- libxcb=1.13=h7f98852_1004
- libzlib=1.2.12=h166bdaf_0
- lz4-c=1.9.3=h9c3ff4c_1
- matplotlib-base=3.5.2=py37hc347a89_0
- mkl=2021.4.0=h06a4308_640
- mkl-service=2.4.0=py37h402132d_0
- mkl_fft=1.3.1=py37h3e078e5_1
- mkl_random=1.2.2=py37h219a48f_0
- munkres=1.1.4=pyh9f0ad1d_0
- ncurses=6.3=h27087fc_1
- nettle=3.6=he412f7d_0
- numexpr=2.8.1=py37h6abb31d_0
- numpy=1.21.5=py37h6c91a56_3
- numpy-base=1.21.5=py37ha15fc14_3
- openh264=2.1.1=h780b84a_0
- openjpeg=2.4.0=hb52868f_1
- openssl=3.0.3=h166bdaf_0
- packaging=21.3=pyhd8ed1ab_0
- pcre=8.45=h9c3ff4c_0
- pillow=9.1.1=py37h44f0d7a_1
- pip=22.1.2=pyhd8ed1ab_0
- pixman=0.40.0=h36c2ea0_0
- pthread-stubs=0.4=h36c2ea0_1001
- pycairo=1.21.0=py37h0afab05_1
- pycparser=2.21=pyhd8ed1ab_0
- pyopenssl=22.0.0=pyhd8ed1ab_0
- pyparsing=3.0.9=pyhd8ed1ab_0
- pysocks=1.7.1=py37h89c1867_5
- python=3.7.12=hf930737_100_cpython
- python-dateutil=2.8.2=pyhd8ed1ab_0
- python_abi=3.7=2_cp37m
- pytorch=1.11.0=py3.7_cuda10.2_cudnn7.6.5_0
- pytorch-mutex=1.0=cuda
- pytorch-scatter=2.0.9=py37_torch_1.11.0_cu102
- pytorch-sparse=0.6.13=py37_torch_1.11.0_cu102
- pytz=2022.1=pyhd8ed1ab_0
- rdkit=2022.03.3=py37hc52db9c_0
- readline=8.1=h46c0cb4_0
- reportlab=3.5.68=py37h69800bb_1
- requests=2.27.1=pyhd8ed1ab_0
- scipy=1.7.3=py37hc147768_0
- setuptools=62.3.3=py37h89c1867_0
- six=1.16.0=pyh6c4a22f_0
- sqlalchemy=1.4.37=py37h540881e_0
- sqlite=3.38.5=h4ff8645_0
- tk=8.6.12=h27826a3_0
- torchaudio=0.11.0=py37_cu102
- torchvision=0.12.0=py37_cu102
- typing-extensions=4.2.0=hd8ed1ab_1
- typing_extensions=4.2.0=pyha770c72_1
- unicodedata2=14.0.0=py37h540881e_1
- urllib3=1.26.9=pyhd8ed1ab_0
- wheel=0.37.1=pyhd8ed1ab_0
- xorg-kbproto=1.0.7=h7f98852_1002
- xorg-libice=1.0.10=h7f98852_0
- xorg-libsm=1.2.3=hd9c2040_1000
- xorg-libx11=1.7.2=h7f98852_0
- xorg-libxau=1.0.9=h7f98852_0
- xorg-libxdmcp=1.1.3=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=h516909a_1
- zipp=3.8.0=pyhd8ed1ab_0
- zlib=1.2.12=h166bdaf_0
- zstd=1.5.2=h8a70e8d_1
- pip:
- absl-py==1.1.0
- aiohttp==3.8.1
- aiosignal==1.2.0
- async-timeout==4.0.2
- asynctest==0.13.0
- attrs==21.4.0
- cachetools==5.2.0
- frozenlist==1.3.0
- fsspec==2022.5.0
- fuzzywuzzy==0.18.0
- google-auth==2.7.0
- google-auth-oauthlib==0.4.6
- grpcio==1.46.3
- jinja2==3.1.2
- joblib==1.1.0
- markdown==3.3.7
- markupsafe==2.1.1
- multidict==6.0.2
- networkx==2.6.3
- oauthlib==3.2.0
- pandas==1.3.5
- protobuf==3.19.4
- pyasn1==0.4.8
- pyasn1-modules==0.2.8
- pydeprecate==0.3.2
- pytdc==0.3.6
- pytorch-lightning==1.6.4
- pyyaml==6.0
- requests-oauthlib==1.3.1
- rsa==4.8
- scikit-learn==1.0.2
- seaborn==0.11.2
- selfies==2.1.0
- tensorboard==2.9.1
- tensorboard-data-server==0.6.1
- tensorboard-plugin-wit==1.8.1
- threadpoolctl==3.1.0
- torch-geometric==2.0.4
- torchmetrics==0.9.1
- tqdm==4.64.0
- werkzeug==2.1.2
- yarl==1.7.2
prefix: /home/j/miniconda3/envs/deep_pharma