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environment.yml
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name: rogi_py38
channels:
- conda-forge
- defaults
dependencies:
- _libgcc_mutex=0.1=conda_forge
- _openmp_mutex=4.5=2_gnu
- asttokens=2.0.5=pyhd8ed1ab_0
- backcall=0.2.0=pyh9f0ad1d_0
- backports=1.0=py_2
- backports.functools_lru_cache=1.6.4=pyhd8ed1ab_0
- boost=1.74.0=py38h2b96118_5
- boost-cpp=1.74.0=h9359b55_0
- bzip2=1.0.8=h7f98852_4
- ca-certificates=2022.5.18.1=ha878542_0
- cairo=1.16.0=h9f066cc_1006
- cycler=0.11.0=pyhd8ed1ab_0
- debugpy=1.6.0=py38hfa26641_0
- decorator=5.1.1=pyhd8ed1ab_0
- entrypoints=0.4=pyhd8ed1ab_0
- executing=0.8.3=pyhd8ed1ab_0
- expat=2.4.8=h27087fc_0
- fontconfig=2.14.0=h8e229c2_0
- freetype=2.10.4=h0708190_1
- gettext=0.19.8.1=h73d1719_1008
- greenlet=1.1.2=py38hfa26641_2
- icu=67.1=he1b5a44_0
- ipykernel=6.13.1=py38h7f3c49e_0
- ipython=8.4.0=py38h578d9bd_0
- jedi=0.18.1=py38h578d9bd_1
- joblib=1.1.0=pyhd8ed1ab_0
- jpeg=9e=h166bdaf_1
- jupyter_client=7.3.3=pyhd8ed1ab_0
- jupyter_core=4.10.0=py38h578d9bd_0
- kiwisolver=1.4.2=py38h43d8883_1
- ld_impl_linux-64=2.36.1=hea4e1c9_2
- libblas=3.9.0=15_linux64_openblas
- libcblas=3.9.0=15_linux64_openblas
- libffi=3.4.2=h7f98852_5
- libgcc-ng=12.1.0=h8d9b700_16
- libgfortran-ng=12.1.0=h69a702a_16
- libgfortran5=12.1.0=hdcd56e2_16
- libglib=2.70.2=h174f98d_4
- libgomp=12.1.0=h8d9b700_16
- libiconv=1.16=h516909a_0
- liblapack=3.9.0=15_linux64_openblas
- libnsl=2.0.0=h7f98852_0
- libopenblas=0.3.20=pthreads_h78a6416_0
- libpng=1.6.37=h21135ba_2
- libsodium=1.0.18=h36c2ea0_1
- libstdcxx-ng=12.1.0=ha89aaad_16
- libtiff=4.0.10=hc3755c2_1005
- libuuid=2.32.1=h7f98852_1000
- libxcb=1.13=h7f98852_1004
- libzlib=1.2.12=h166bdaf_0
- lz4-c=1.9.3=h9c3ff4c_1
- matplotlib=3.2.2=1
- matplotlib-base=3.2.2=py38h5d868c9_1
- matplotlib-inline=0.1.3=pyhd8ed1ab_0
- ncurses=6.3=h27087fc_1
- nest-asyncio=1.5.5=pyhd8ed1ab_0
- networkx=2.8.3=pyhd8ed1ab_0
- numpy=1.22.4=py38h99721a1_0
- olefile=0.46=pyh9f0ad1d_1
- openssl=3.0.3=h166bdaf_0
- packaging=21.3=pyhd8ed1ab_0
- pandas=1.4.2=py38h47df419_2
- parso=0.8.3=pyhd8ed1ab_0
- patsy=0.5.2=pyhd8ed1ab_0
- pcre=8.45=h9c3ff4c_0
- pexpect=4.8.0=pyh9f0ad1d_2
- pickleshare=0.7.5=py_1003
- pillow=6.2.1=py38h6b7be26_0
- pip=22.1.2=pyhd8ed1ab_0
- pixman=0.40.0=h36c2ea0_0
- prompt-toolkit=3.0.29=pyha770c72_0
- psutil=5.9.1=py38h0a891b7_0
- pthread-stubs=0.4=h36c2ea0_1001
- ptyprocess=0.7.0=pyhd3deb0d_0
- pure_eval=0.2.2=pyhd8ed1ab_0
- pycairo=1.21.0=py38h9c00e7a_1
- pygments=2.12.0=pyhd8ed1ab_0
- pyparsing=3.0.9=pyhd8ed1ab_0
- python=3.8.13=ha86cf86_0_cpython
- python-dateutil=2.8.2=pyhd8ed1ab_0
- python_abi=3.8=2_cp38
- pytz=2022.1=pyhd8ed1ab_0
- pyzmq=23.1.0=py38hfc09fa9_0
- rdkit=2022.03.3=py38ha829ea6_0
- readline=8.1=h46c0cb4_0
- reportlab=3.5.68=py38hadf75a6_1
- scikit-learn=1.1.1=py38hf80bbf7_0
- scipy=1.8.1=py38h1ee437e_0
- seaborn=0.11.2=hd8ed1ab_0
- seaborn-base=0.11.2=pyhd8ed1ab_0
- setuptools=62.3.3=py38h578d9bd_0
- six=1.16.0=pyh6c4a22f_0
- sqlalchemy=1.4.37=py38h0a891b7_0
- sqlite=3.38.5=h4ff8645_0
- stack_data=0.2.0=pyhd8ed1ab_0
- statsmodels=0.13.2=py38h6c62de6_0
- threadpoolctl=3.1.0=pyh8a188c0_0
- tk=8.6.12=h27826a3_0
- tornado=6.1=py38h0a891b7_3
- traitlets=5.2.2.post1=pyhd8ed1ab_0
- wcwidth=0.2.5=pyh9f0ad1d_2
- 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
- zeromq=4.3.4=h9c3ff4c_1
- zlib=1.2.12=h166bdaf_0
- zstd=1.4.9=ha95c52a_0
- pip:
- certifi==2022.5.18.1
- charset-normalizer==2.0.12
- fastcluster==1.2.6
- fuzzywuzzy==0.18.0
- idna==3.3
- pytdc==0.3.6
- requests==2.27.1
- rogi==0+untagged.5.g02de8a2
- tqdm==4.64.0
- urllib3==1.26.9
prefix: /home/maldeghi/anaconda3/envs/rogi_py38