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environment.yml
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name: ReinventCommunity
channels:
- conda-forge
- omnia
- plotly
- pytorch
- openeye
- anaconda
- rdkit
dependencies:
- _libgcc_mutex=0.1
- _openmp_mutex=4.5
- attrs=19.3.0
- backcall=0.1.0
- bleach=3.1.4
- boost=1.72.0
- boost-cpp=1.72.0
- bzip2=1.0.8
- ca-certificates=2020.6.20
- cairo=1.16.0
- certifi=2020.6.20
- cycler=0.10.0
- dbus=1.13.6
- decorator=4.4.2
- defusedxml=0.6.0
- entrypoints=0.3
- expat=2.2.9
- fontconfig=2.13.1
- freetype=2.10.1
- gettext=0.19.8.1
- glib=2.58.3
- gst-plugins-base=1.14.5
- gstreamer=1.14.5
- icu=64.2
- importlib-metadata=1.6.0
- importlib_metadata=1.6.0
- ipykernel=5.2.0
- ipython=7.13.0
- ipython_genutils=0.2.0
- ipywidgets=7.5.1
- jedi=0.16.0
- jinja2=2.11.1
- joblib=0.16.0
- jpeg=9c
- jsonschema=3.2.0
- jupyter=1.0.0
- jupyter_client=6.1.2
- jupyter_console=6.1.0
- jupyter_core=4.6.3
- kiwisolver=1.2.0
- ld_impl_linux-64=2.34
- libblas=3.8.0
- libcblas=3.8.0
- libclang=9.0.1
- libffi=3.2.1
- libgcc-ng=9.2.0
- libgfortran-ng=7.3.0
- libgomp=9.2.0
- libiconv=1.15
- liblapack=3.8.0
- libllvm9=9.0.1
- libopenblas=0.3.7
- libpng=1.6.37
- libsodium=1.0.17
- libstdcxx-ng=9.2.0
- libtiff=4.1.0
- libuuid=2.32.1
- libwebp-base=1.1.0
- libxcb=1.13
- libxkbcommon=0.10.0
- libxml2=2.9.10
- lz4-c=1.8.3
- markupsafe=1.1.1
- matplotlib=3.2.1
- matplotlib-base=3.2.1
- mistune=0.8.4
- molvs
- nbconvert=5.6.1
- nbformat=5.0.4
- ncurses=6.1
- notebook=6.0.3
- nspr=4.25
- nss=3.47
- numpy=1.18.1
- olefile=0.46
- openssl=1.1.1g
- pandas=1.0.3
- pandoc=2.9.2
- pandocfilters=1.4.2
- parso=0.6.2
- patsy=0.5.1
- pcre=8.44
- pexpect=4.8.0
- pickleshare=0.7.5
- pillow=7.1.1
- pip=20.0.2
- pixman=0.38.0
- prometheus_client=0.7.1
- prompt-toolkit=3.0.5
- prompt_toolkit=3.0.5
- pthread-stubs=0.4
- ptyprocess=0.6.0
- pycairo=1.19.1
- pygments=2.6.1
- pyparsing=2.4.7
- pyqt=5.12.3
- pyrsistent=0.16.0
- pyspark
- python=3.7.6
- python-dateutil=2.8.1
- python_abi=3.7
- pytz=2019.3
- pyzmq=19.0.0
- qt=5.12.5
- qtconsole=4.7.2
- qtpy=1.9.0
- rdkit=2020.03.1
- readline=8.0
- scikit-learn=0.21.3
- scipy=1.4.1
- seaborn=0.10.0
- send2trash=1.5.0
- setuptools=46.1.3
- six=1.14.0
- sqlite=3.30.1
- statsmodels=0.11.1
- terminado=0.8.3
- testpath=0.4.4
- tk=8.6.10
- tornado=6.0.4
- traitlets=4.3.3
- wcwidth=0.1.9
- webencodings=0.5.1
- wheel=0.34.2
- widgetsnbextension=3.5.1
- xorg-kbproto=1.0.7
- xorg-libice=1.0.10
- xorg-libsm=1.2.3
- xorg-libx11=1.6.9
- xorg-libxau=1.0.9
- xorg-libxdmcp=1.1.3
- xorg-libxext=1.3.4
- xorg-libxrender=0.9.10
- xorg-renderproto=0.11.1
- xorg-xextproto=7.3.0
- xorg-xproto=7.0.31
- xz=5.2.5
- zeromq=4.3.2
- zipp=3.1.0
- zlib=1.2.11
- zstd=1.4.4
- pip:
- pyqt5-sip==4.19.18
- pyqtwebengine==5.12.1