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env.yaml
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env.yaml
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name: DeepTarget
channels:
- conda-forge
- defaults
dependencies:
- _libgcc_mutex=0.1=main
- _openmp_mutex=5.1=1_gnu
- blas=1.0=mkl
- boost=1.74.0=py38h2b96118_5
- boost-cpp=1.74.0=h9359b55_0
- brotli=1.0.9=h166bdaf_7
- brotli-bin=1.0.9=h166bdaf_7
- bzip2=1.0.8=h7f98852_4
- ca-certificates=2022.5.18.1=ha878542_0
- cairo=1.16.0=h3fc0475_1005
- certifi=2022.5.18.1=py38h578d9bd_0
- cycler=0.11.0=pyhd8ed1ab_0
- expat=2.4.8=h27087fc_0
- fontconfig=2.14.0=h8e229c2_0
- fonttools=4.33.3=py38h0a891b7_0
- freetype=2.10.4=h0708190_1
- glib=2.69.1=h4ff587b_1
- greenlet=1.1.2=py38hfa26641_2
- icu=67.1=he1b5a44_0
- intel-openmp=2021.4.0=h06a4308_3561
- joblib=1.1.0=pyhd3eb1b0_0
- jpeg=9e=h166bdaf_1
- kiwisolver=1.4.2=py38h43d8883_1
- ld_impl_linux-64=2.38=h1181459_1
- libbrotlicommon=1.0.9=h166bdaf_7
- libbrotlidec=1.0.9=h166bdaf_7
- libbrotlienc=1.0.9=h166bdaf_7
- libffi=3.3=he6710b0_2
- libgcc-ng=11.2.0=h1234567_1
- libgfortran-ng=7.5.0=ha8ba4b0_17
- libgfortran4=7.5.0=ha8ba4b0_17
- libgomp=11.2.0=h1234567_1
- libpng=1.6.37=h21135ba_2
- libstdcxx-ng=11.2.0=h1234567_1
- libtiff=4.0.10=hc3755c2_1005
- libuuid=2.32.1=h7f98852_1000
- libxcb=1.13=h7f98852_1004
- lz4-c=1.9.3=h9c3ff4c_1
- matplotlib-base=3.5.2=py38h826bfd8_0
- mkl=2021.4.0=h06a4308_640
- mkl-service=2.4.0=py38h7f8727e_0
- mkl_fft=1.3.1=py38hd3c417c_0
- mkl_random=1.2.2=py38h51133e4_0
- munkres=1.1.4=pyh9f0ad1d_0
- ncurses=6.3=h7f8727e_2
- olefile=0.46=pyh9f0ad1d_1
- openssl=1.1.1o=h166bdaf_0
- packaging=21.3=pyhd8ed1ab_0
- pandas=1.4.2=py38h47df419_1
- pcre=8.45=h9c3ff4c_0
- pip=21.2.4=py38h06a4308_0
- pixman=0.38.0=h516909a_1003
- pthread-stubs=0.4=h36c2ea0_1001
- pycairo=1.21.0=py38h9c00e7a_1
- pyparsing=3.0.9=pyhd8ed1ab_0
- python=3.8.13=h12debd9_0
- python-dateutil=2.8.2=pyhd8ed1ab_0
- python_abi=3.8=2_cp38
- pytz=2022.1=pyhd8ed1ab_0
- rdkit=2022.03.2=py38ha829ea6_0
- readline=8.1.2=h7f8727e_1
- reportlab=3.5.68=py38hadf75a6_1
- scikit-learn=1.0.2=py38h51133e4_1
- scipy=1.7.3=py38hc147768_0
- setuptools=61.2.0=py38h06a4308_0
- sqlalchemy=1.4.13=py38h497a2fe_0
- sqlite=3.38.3=hc218d9a_0
- threadpoolctl=2.2.0=pyh0d69192_0
- tk=8.6.12=h1ccaba5_0
- unicodedata2=14.0.0=py38h0a891b7_1
- wheel=0.37.1=pyhd3eb1b0_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=h7f8727e_1
- zlib=1.2.12=h7f8727e_2
- zstd=1.4.9=ha95c52a_0
- pip:
- absl-py==0.15.0
- argon2-cffi==21.3.0
- argon2-cffi-bindings==21.2.0
- asttokens==2.0.5
- astunparse==1.6.3
- attrs==21.4.0
- backcall==0.2.0
- beautifulsoup4==4.11.1
- bleach==5.0.0
- cachetools==5.2.0
- cffi==1.15.0
- charset-normalizer==2.0.12
- debugpy==1.6.0
- decorator==5.1.1
- defusedxml==0.7.1
- entrypoints==0.4
- executing==0.8.3
- fastjsonschema==2.15.3
- flatbuffers==1.12
- gast==0.4.0
- google-auth==2.6.6
- google-auth-oauthlib==0.4.6
- google-pasta==0.2.0
- grpcio==1.34.1
- h5py==3.1.0
- idna==3.3
- importlib-metadata==4.11.4
- importlib-resources==5.7.1
- ipykernel==6.13.1
- ipython==8.4.0
- ipython-genutils==0.2.0
- ipywidgets==7.7.0
- jedi==0.18.1
- jinja2==3.1.2
- jsonschema==4.6.0
- jupyter==1.0.0
- jupyter-client==7.3.2
- jupyter-console==6.4.3
- jupyter-core==4.10.0
- jupyterlab-pygments==0.2.2
- jupyterlab-widgets==1.1.0
- keras==2.9.0
- keras-nightly==2.5.0.dev2021032900
- keras-preprocessing==1.1.2
- llvmlite==0.38.1
- markdown==3.3.7
- markupsafe==2.1.1
- matplotlib-inline==0.1.3
- mistune==0.8.4
- nbclient==0.6.4
- nbconvert==6.5.0
- nbformat==5.4.0
- nest-asyncio==1.5.5
- notebook==6.4.11
- numba==0.55.2
- numpy==1.19.5
- oauthlib==3.2.0
- opt-einsum==3.3.0
- pandocfilters==1.5.0
- parso==0.8.3
- pexpect==4.8.0
- pickleshare==0.7.5
- pillow==9.1.1
- prometheus-client==0.14.1
- prompt-toolkit==3.0.29
- protobuf==3.20.0
- psutil==5.9.1
- ptyprocess==0.7.0
- pure-eval==0.2.2
- pyasn1==0.4.8
- pyasn1-modules==0.2.8
- pycparser==2.21
- pygments==2.12.0
- pynndescent==0.5.7
- pyrsistent==0.18.1
- pyzmq==23.1.0
- qtconsole==5.3.1
- qtpy==2.1.0
- requests==2.27.1
- requests-oauthlib==1.3.1
- rsa==4.8
- seaborn==0.11.2
- send2trash==1.8.0
- six==1.15.0
- soupsieve==2.3.2.post1
- stack-data==0.2.0
- tensorboard==2.9.0
- tensorboard-data-server==0.6.1
- tensorboard-plugin-wit==1.8.1
- tensorflow-estimator==2.5.0
- tensorflow-gpu==2.5.0
- termcolor==1.1.0
- terminado==0.15.0
- tinycss2==1.1.1
- torch==1.10.1+cu111
- torchaudio==0.10.1+rocm4.1
- torchvision==0.11.2+cu111
- tornado==6.1
- tqdm==4.64.0
- traitlets==5.2.2.post1
- typing-extensions==3.7.4.3
- umap==0.1.1
- umap-learn==0.5.3
- urllib3==1.26.9
- wcwidth==0.2.5
- webencodings==0.5.1
- werkzeug==2.1.2
- widgetsnbextension==3.6.0
- wrapt==1.12.1
- zipp==3.8.0
prefix: /home/s2136015/anaconda3/envs/DeepTarget