/
environment.yml
146 lines (146 loc) · 4.44 KB
/
environment.yml
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name: GeoMol
channels:
- rdkit
- anaconda
- conda-forge
- defaults
dependencies:
- _libgcc_mutex=0.1=main
- _openmp_mutex=4.5=1_gnu
- argon2-cffi=20.1.0=py37h5e8e339_2
- async_generator=1.10=py_0
- attrs=21.2.0=pyhd8ed1ab_0
- backcall=0.2.0=pyh9f0ad1d_0
- backports=1.0=py_2
- backports.functools_lru_cache=1.6.4=pyhd8ed1ab_0
- blas=1.0=mkl
- bleach=3.3.0=pyh44b312d_0
- bzip2=1.0.8=h7b6447c_0
- ca-certificates=2021.5.30=ha878542_0
- cairo=1.16.0=hf32fb01_1
- certifi=2021.5.30=py37h89c1867_0
- cffi=1.14.5=py37hc58025e_0
- cycler=0.10.0=py37_0
- dbus=1.13.18=hb2f20db_0
- decorator=4.4.2=pyhd3eb1b0_0
- defusedxml=0.7.1=pyhd8ed1ab_0
- entrypoints=0.3=pyhd8ed1ab_1003
- expat=2.4.1=h2531618_2
- fontconfig=2.13.1=h6c09931_0
- freetype=2.10.4=h5ab3b9f_0
- glib=2.68.2=h36276a3_0
- gst-plugins-base=1.14.0=h8213a91_2
- gstreamer=1.14.0=h28cd5cc_2
- icu=58.2=he6710b0_3
- importlib-metadata=4.6.0=py37h89c1867_0
- intel-openmp=2021.2.0=h06a4308_610
- ipykernel=5.5.5=py37h085eea5_0
- ipython=7.25.0=py37h085eea5_1
- ipython_genutils=0.2.0=py_1
- ipywidgets=7.6.3=pyhd3deb0d_0
- jedi=0.18.0=py37h89c1867_2
- jinja2=3.0.1=pyhd8ed1ab_0
- jpeg=9b=h024ee3a_2
- jsonschema=3.2.0=pyhd8ed1ab_3
- jupyter=1.0.0=py37h89c1867_6
- jupyter_client=6.1.12=pyhd8ed1ab_0
- jupyter_console=6.4.0=pyhd8ed1ab_0
- jupyter_core=4.7.1=py37h89c1867_0
- jupyterlab_pygments=0.1.2=pyh9f0ad1d_0
- jupyterlab_widgets=1.0.0=pyhd8ed1ab_1
- kiwisolver=1.3.1=py37h2531618_0
- lcms2=2.12=h3be6417_0
- ld_impl_linux-64=2.35.1=h7274673_9
- libboost=1.73.0=h3ff78a5_11
- libffi=3.3=he6710b0_2
- libgcc-ng=9.3.0=h5101ec6_17
- libgfortran-ng=7.5.0=ha8ba4b0_17
- libgfortran4=7.5.0=ha8ba4b0_17
- libgomp=9.3.0=h5101ec6_17
- libpng=1.6.37=hbc83047_0
- libsodium=1.0.18=h36c2ea0_1
- libstdcxx-ng=9.3.0=hd4cf53a_17
- libtiff=4.2.0=h85742a9_0
- libuuid=1.0.3=h1bed415_2
- libwebp-base=1.2.0=h27cfd23_0
- libxcb=1.14=h7b6447c_0
- libxml2=2.9.12=h03d6c58_0
- lz4-c=1.9.3=h2531618_0
- markupsafe=2.0.1=py37h5e8e339_0
- matplotlib=3.3.4=py37h06a4308_0
- matplotlib-base=3.3.4=py37h62a2d02_0
- matplotlib-inline=0.1.2=pyhd8ed1ab_2
- mistune=0.8.4=py37h5e8e339_1004
- mkl=2021.2.0=h06a4308_296
- mkl-service=2.3.0=py37h27cfd23_1
- mkl_fft=1.3.0=py37h42c9631_2
- mkl_random=1.2.1=py37ha9443f7_2
- nbclient=0.5.3=pyhd8ed1ab_0
- nbconvert=6.1.0=py37h89c1867_0
- nbformat=5.1.3=pyhd8ed1ab_0
- ncurses=6.2=he6710b0_1
- nest-asyncio=1.5.1=pyhd8ed1ab_0
- networkx=2.5.1=pyhd3eb1b0_0
- notebook=6.4.0=pyha770c72_0
- numpy=1.20.2=py37h2d18471_0
- numpy-base=1.20.2=py37hfae3a4d_0
- olefile=0.46=py37_0
- openssl=1.1.1k=h7f98852_0
- packaging=20.9=pyh44b312d_0
- pandas=1.2.5=py37h295c915_0
- pandoc=2.14.0.3=h7f98852_0
- pandocfilters=1.4.2=py_1
- parso=0.8.2=pyhd8ed1ab_0
- pcre=8.45=h295c915_0
- pexpect=4.8.0=pyh9f0ad1d_2
- pickleshare=0.7.5=py_1003
- pillow=8.2.0=py37he98fc37_0
- pip=21.1.3=py37h06a4308_0
- pixman=0.40.0=h7b6447c_0
- pot=0.7.0=py37h3340039_0
- prometheus_client=0.11.0=pyhd8ed1ab_0
- prompt-toolkit=3.0.19=pyha770c72_0
- prompt_toolkit=3.0.19=hd8ed1ab_0
- ptyprocess=0.7.0=pyhd3deb0d_0
- py-boost=1.73.0=py37ha9443f7_11
- py3dmol=0.9.1=pyhd8ed1ab_0
- pycparser=2.20=pyh9f0ad1d_2
- pygments=2.9.0=pyhd8ed1ab_0
- pyparsing=2.4.7=pyhd3eb1b0_0
- pyqt=5.9.2=py37h05f1152_2
- pyrsistent=0.17.3=py37h5e8e339_2
- python=3.7.10=h12debd9_4
- python-dateutil=2.8.1=pyhd3eb1b0_0
- python_abi=3.7=2_cp37m
- pytz=2021.1=pyhd3eb1b0_0
- pyyaml=5.3.1=py37h7b6447c_1
- pyzmq=22.1.0=py37h336d617_0
- qt=5.9.7=h5867ecd_1
- qtconsole=5.1.1=pyhd8ed1ab_0
- qtpy=1.9.0=py_0
- rdkit=2020.09.1.0=py37hd50e099_1
- readline=8.1=h27cfd23_0
- scipy=1.6.2=py37had2a1c9_1
- seaborn=0.11.1=pyhd3eb1b0_0
- send2trash=1.7.1=pyhd8ed1ab_0
- setuptools=52.0.0=py37h06a4308_0
- sip=4.19.8=py37hf484d3e_0
- six=1.16.0=pyhd3eb1b0_0
- sqlite=3.36.0=hc218d9a_0
- terminado=0.10.1=py37h89c1867_0
- testpath=0.5.0=pyhd8ed1ab_0
- tk=8.6.10=hbc83047_0
- tornado=6.1=py37h27cfd23_0
- tqdm=4.61.1=pyhd3eb1b0_1
- traitlets=5.0.5=py_0
- typing_extensions=3.10.0.0=pyha770c72_0
- wcwidth=0.2.5=pyh9f0ad1d_2
- webencodings=0.5.1=py_1
- wheel=0.36.2=pyhd3eb1b0_0
- widgetsnbextension=3.5.1=py37h89c1867_4
- xz=5.2.5=h7b6447c_0
- yaml=0.2.5=h7b6447c_0
- zeromq=4.3.4=h9c3ff4c_0
- zipp=3.4.1=pyhd8ed1ab_0
- zlib=1.2.11=h7b6447c_3
- zstd=1.4.9=haebb681_0