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environment.yml
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environment.yml
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name: rdkit
channels:
- rdkit
- conda-forge
- defaults
dependencies:
- _libgcc_mutex=0.1
- attrs=19.3.0
- backcall=0.1.0
- bleach=3.1.0
- bzip2=1.0.8
- ca-certificates=2019.11.28
- cairo=1.16.0
- certifi=2019.11.28
- cycler=0.10.0
- dbus=1.13.6
- decorator=4.4.1
- defusedxml=0.6.0
- entrypoints=0.3
- expat=2.2.5
- fontconfig=2.13.1
- freetype=2.10.0
- gettext=0.19.8.1
- glib=2.58.3
- gst-plugins-base=1.14.5
- gstreamer=1.14.5
- icu=58.2
- importlib_metadata=1.3.0
- ipykernel=5.1.3
- ipython=7.10.2
- ipython_genutils=0.2.0
- ipywidgets=7.5.1
- jedi=0.15.1
- jinja2=2.10.3
- jpeg=9c
- jsonschema=3.2.0
- jupyter=1.0.0
- jupyter_client=5.3.3
- jupyter_console=5.1.0
- jupyter_core=4.6.1
- kiwisolver=1.1.0
- libblas=3.8.0
- libboost=1.67.0
- libcblas=3.8.0
- libffi=3.2.1
- libgcc-ng=9.2.0
- libgfortran-ng=7.3.0
- libiconv=1.15
- liblapack=3.8.0
- 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
- libxcb=1.13
- libxml2=2.9.9
- libxslt=1.1.32
- lxml=4.4.1
- lz4-c=1.8.3
- markupsafe=1.1.1
- matplotlib=3.1.1
- matplotlib-base=3.1.1
- mistune=0.8.4
- more-itertools=8.0.2
- nbconvert=5.6.1
- nbformat=4.4.0
- ncurses=6.1
- notebook=6.0.1
- numpy=1.17.3
- olefile=0.46
- openssl=1.1.1d
- pandas=0.25.3
- pandoc=2.9
- pandocfilters=1.4.2
- parso=0.5.2
- pcre=8.43
- pexpect=4.7.0
- pickleshare=0.7.5
- pillow=6.2.1
- pip=19.3.1
- pixman=0.38.0
- prometheus_client=0.7.1
- prompt_toolkit=3.0.2
- pthread-stubs=0.4
- ptyprocess=0.6.0
- py-boost=1.67.0
- pygments=2.5.2
- pyparsing=2.4.5
- pyqt=5.9.2
- pyrsistent=0.15.6
- python=3.6.7
- python-dateutil=2.8.1
- pytz=2019.3
- pyzmq=18.1.1
- qt=5.9.7
- qtconsole=4.6.0
- rdkit=2019.09.2.0
- readline=8.0
- send2trash=1.5.0
- setuptools=42.0.2
- sip=4.19.8
- six=1.13.0
- sqlite=3.30.1
- svgutils=0.3.1
- terminado=0.8.3
- testpath=0.4.4
- tk=8.6.10
- tornado=6.0.3
- traitlets=4.3.3
- wcwidth=0.1.7
- webencodings=0.5.1
- wheel=0.33.6
- 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=5.2.4
- zeromq=4.3.2
- zipp=0.6.0
- zlib=1.2.11
- zstd=1.4.4
prefix: /home/simon/miniconda3/envs/rdkit