name: mollib
channels:
  - rdkit
  - defaults
dependencies:
  - blas=1.0=mkl
  - bzip2=1.0.8=h1de35cc_0
  - ca-certificates=2019.5.15=0
  - cairo=1.14.12=hc4e6be7_4
  - certifi=2019.6.16=py36_0
  - fontconfig=2.13.0=h5d5b041_1
  - freetype=2.9.1=hb4e5f40_0
  - gettext=0.19.8.1=h15daf44_3
  - glib=2.56.2=hd9629dc_0
  - icu=58.2=h4b95b61_1
  - intel-openmp=2019.4=233
  - jpeg=9b=he5867d9_2
  - kiwisolver=1.1.0=py36h0a44026_0
  - libboost=1.67.0=hebc422b_4
  - libcxx=4.0.1=hcfea43d_1
  - libcxxabi=4.0.1=hcfea43d_1
  - libedit=3.1.20181209=hb402a30_0
  - libffi=3.2.1=h475c297_4
  - libgfortran=3.0.1=h93005f0_2
  - libiconv=1.15=hdd342a3_7
  - libpng=1.6.37=ha441bb4_0
  - libtiff=4.0.10=hcb84e12_2
  - libxml2=2.9.9=hf6e021a_1
  - matplotlib=3.0.3=py36h54f8f79_0
  - mkl=2019.4=233
  - mkl_fft=1.0.12=py36h5e564d8_0
  - mkl_random=1.0.2=py36h27c97d8_0
  - ncurses=6.1=h0a44026_1
  - numpy-base=1.16.4=py36h6575580_0
  - olefile=0.46=py36_0
  - openssl=1.1.1c=h1de35cc_1
  - pandas=0.24.2=py36h0a44026_0
  - pcre=8.43=h0a44026_0
  - pillow=6.1.0=py36hb68e598_0
  - pip=19.1.1=py36_0
  - pixman=0.38.0=h1de35cc_0
  - py-boost=1.67.0=py36h6440ff4_4
  - pyparsing=2.4.0=py_0
  - python=3.6.8=haf84260_0
  - python-dateutil=2.8.0=py36_0
  - pytz=2019.1=py_0
  - rdkit=2019.03.3.0=py36h65625ec_1
  - readline=7.0=h1de35cc_5
  - setuptools=41.0.1=py36_0
  - sqlite=3.29.0=ha441bb4_0
  - tk=8.6.8=ha441bb4_0
  - tornado=6.0.3=py36h1de35cc_0
  - wheel=0.33.4=py36_0
  - xz=5.2.4=h1de35cc_4
  - zlib=1.2.11=h1de35cc_3
  - zstd=1.3.7=h5bba6e5_0
  - pip:
    - absl-py==0.7.1
    - altair==3.1.0
    - appnope==0.1.0
    - astor==0.7.1
    - atomicwrites==1.3.0
    - attrs==19.1.0
    - backcall==0.1.0
    - bleach==1.5.0
    - click==7.0
    - colorama==0.4.1
    - cycler==0.10.0
    - cython==0.29.7
    - decorator==4.4.0
    - defusedxml==0.6.0
    - entrypoints==0.3
    - filelock==3.0.12
    - flatbuffers==1.11
    - fpdf==1.7.2
    - funcsigs==1.0.2
    - gast==0.2.2
    - grpcio==1.20.1
    - h5py==2.9.0
    - html5lib==0.9999999
    - importlib-metadata==0.18
    - inflect==2.1.0
    - ipykernel==5.1.1
    - ipython==7.6.1
    - ipython-genutils==0.2.0
    - ipywidgets==7.5.0
    - jedi==0.14.0
    - jinja2==2.10.1
    - joblib==0.13.2
    - jsonschema==3.0.1
    - jupyter==1.0.0
    - jupyter-client==5.2.4
    - jupyter-console==6.0.0
    - jupyter-core==4.5.0
    - keras==2.2.0
    - keras-applications==1.0.7
    - keras-preprocessing==1.0.9
    - llvmlite==0.28.0
    - markdown==3.1
    - markupsafe==1.1.1
    - mistune==0.8.4
    - mock==3.0.5
    - more-itertools==7.1.0
    - nbconvert==5.5.0
    - nbformat==4.4.0
    - notebook==5.7.8
    - numba==0.43.1
    - numpy==1.16.3
    - packaging==19.0
    - pandocfilters==1.4.2
    - parso==0.5.0
    - pexpect==4.7.0
    - pickleshare==0.7.5
    - pluggy==0.12.0
    - prometheus-client==0.7.1
    - prompt-toolkit==2.0.9
    - protobuf==3.7.1
    - psutil==5.6.3
    - ptyprocess==0.6.0
    - py==1.8.0
    - pygments==2.4.2
    - pyhamcrest==1.9.0
    - pyrsistent==0.15.2
    - pytest==5.0.1
    - pyyaml==5.1
    - pyzmq==18.0.2
    - qtconsole==4.5.1
    - ray==0.7.2
    - redis==3.2.1
    - scikit-learn==0.20.3
    - scipy==1.2.1
    - seaborn==0.9.0
    - send2trash==1.5.0
    - six==1.12.0
    - sklearn==0.0
    - tensorboard==1.13.1
    - tensorflow==1.5.0
    - tensorflow-estimator==1.13.0
    - tensorflow-tensorboard==1.5.1
    - termcolor==1.1.0
    - terminado==0.8.2
    - testpath==0.4.2
    - toolz==0.9.0
    - traitlets==4.3.2
    - umap-learn==0.3.8
    - wcwidth==0.1.7
    - werkzeug==0.15.2
    - widgetsnbextension==3.5.0
    - zipp==0.5.2