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environment.yml
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name: workshop
channels:
- rdkit
- defaults
dependencies:
- _libgcc_mutex=0.1=main
- blas=1.0=mkl
- bzip2=1.0.8=h7b6447c_0
- ca-certificates=2019.8.28=0
- cairo=1.14.12=h8948797_3
- certifi=2019.9.11=py37_0
- fontconfig=2.13.0=h9420a91_0
- freetype=2.9.1=h8a8886c_1
- glib=2.56.2=hd408876_0
- icu=58.2=h9c2bf20_1
- intel-openmp=2019.4=243
- jpeg=9b=h024ee3a_2
- libboost=1.67.0=h46d08c1_4
- libedit=3.1.20181209=hc058e9b_0
- libffi=3.2.1=hd88cf55_4
- libgcc-ng=9.1.0=hdf63c60_0
- libgfortran-ng=7.3.0=hdf63c60_0
- libpng=1.6.37=hbc83047_0
- libstdcxx-ng=9.1.0=hdf63c60_0
- libtiff=4.0.10=h2733197_2
- libuuid=1.0.3=h1bed415_2
- libxcb=1.13=h1bed415_1
- libxml2=2.9.9=hea5a465_1
- mkl=2019.4=243
- mkl-service=2.3.0=py37he904b0f_0
- mkl_fft=1.0.14=py37ha843d7b_0
- mkl_random=1.1.0=py37hd6b4f25_0
- ncurses=6.1=he6710b0_1
- numpy=1.17.2=py37haad9e8e_0
- numpy-base=1.17.2=py37hde5b4d6_0
- olefile=0.46=py37_0
- openssl=1.1.1d=h7b6447c_3
- pandas=0.25.1=py37he6710b0_0
- pcre=8.43=he6710b0_0
- pillow=6.2.0=py37h34e0f95_0
- pip=19.2.3=py37_0
- pixman=0.38.0=h7b6447c_0
- py-boost=1.67.0=py37h04863e7_4
- python=3.7.4=h265db76_1
- python-dateutil=2.8.0=py37_0
- pytz=2019.3=py_0
- rdkit=2019.03.4.0=py37hc20afe1_1
- readline=7.0=h7b6447c_5
- setuptools=41.4.0=py37_0
- six=1.12.0=py37_0
- sqlite=3.30.0=h7b6447c_0
- tk=8.6.8=hbc83047_0
- tqdm=4.36.1=py_0
- wheel=0.33.6=py37_0
- xz=5.2.4=h14c3975_4
- zlib=1.2.11=h7b6447c_3
- zstd=1.3.7=h0b5b093_0
- pip:
- astroid==2.3.1
- astropy==3.2.2
- atomicwrites==1.3.0
- attrs==19.3.0
- backcall==0.1.0
- bleach==3.1.0
- chardet==3.0.4
- chembl-webresource-client==0.10.0
- confuse==1.0.0
- cycler==0.10.0
- decorator==4.4.0
- defusedxml==0.6.0
- easydict==1.9
- entrypoints==0.3
- environment-kernels==1.1.1
- htmlmin==0.1.12
- idna==2.8
- importlib-metadata==0.23
- ipykernel==5.1.2
- ipython==7.8.0
- ipython-genutils==0.2.0
- ipywidgets==7.5.1
- isort==4.3.21
- jedi==0.15.1
- jinja2==2.10.3
- joblib==0.14.0
- jsonschema==3.1.1
- jupyter==1.0.0
- jupyter-client==5.3.4
- jupyter-console==6.0.0
- jupyter-core==4.6.0
- kiwisolver==1.1.0
- lazy-object-proxy==1.4.2
- llvmlite==0.30.0
- markupsafe==1.1.1
- matplotlib==3.1.1
- mccabe==0.6.1
- minisom==2.2.1
- missingno==0.4.2
- mistune==0.8.4
- more-itertools==7.2.0
- nbconvert==5.6.0
- nbformat==4.4.0
- notebook==6.0.1
- numba==0.46.0
- packaging==19.2
- pandas-profiling==2.3.0
- pandocfilters==1.4.2
- parso==0.5.1
- pexpect==4.7.0
- phik==0.9.8
- pickleshare==0.7.5
- pluggy==0.13.0
- prometheus-client==0.7.1
- prompt-toolkit==2.0.10
- ptyprocess==0.6.0
- py==1.8.0
- pygments==2.4.2
- pylint==2.4.2
- pyparsing==2.4.2
- pyrsistent==0.15.4
- pytest==5.2.1
- pytest-pylint==0.14.1
- pyyaml==5.1.2
- pyzmq==18.1.0
- qtconsole==4.5.5
- requests==2.22.0
- requests-cache==0.5.2
- scikit-learn==0.21.3
- scipy==1.3.1
- seaborn==0.9.0
- send2trash==1.5.0
- sklearn==0.0
- terminado==0.8.2
- testpath==0.4.2
- tornado==6.0.3
- traitlets==4.3.3
- typed-ast==1.4.0
- urllib3==1.25.6
- wcwidth==0.1.7
- webencodings==0.5.1
- widgetsnbextension==3.5.1
- wrapt==1.11.2
- zipp==0.6.0
prefix: /home/ubuntu/anaconda3/envs/workshop