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environment.yml
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environment.yml
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name: fresco
channels:
- rdkit
- plotly
- conda-forge
- defaults
dependencies:
- _libgcc_mutex=0.1=conda_forge
- _openmp_mutex=4.5=1_gnu
- argcomplete=1.12.3=pyhd8ed1ab_2
- argon2-cffi=21.1.0=py37h5e8e339_0
- async_generator=1.10=py_0
- attrs=21.2.0=pyhd8ed1ab_0
- autopep8=1.6.0=pyhd3eb1b0_0
- backcall=0.2.0=pyh9f0ad1d_0
- backports=1.0=py_2
- backports.functools_lru_cache=1.6.4=pyhd8ed1ab_0
- bleach=4.1.0=pyhd8ed1ab_0
- bzip2=1.0.8=h7f98852_4
- ca-certificates=2021.10.26=h06a4308_2
- cairo=1.16.0=h18b612c_1001
- certifi=2021.10.8=py37h06a4308_2
- cffi=1.14.6=py37h036bc23_1
- colorama=0.4.4=pyh9f0ad1d_0
- cycler=0.10.0=py_2
- debugpy=1.4.1=py37hcd2ae1e_0
- decorator=5.1.0=pyhd8ed1ab_0
- defusedxml=0.7.1=pyhd8ed1ab_0
- entrypoints=0.3=pyhd8ed1ab_1003
- fontconfig=2.13.1=hba837de_1005
- freetype=2.10.4=h0708190_1
- gettext=0.19.8.1=h73d1719_1008
- glib=2.70.0=h780b84a_0
- glib-tools=2.70.0=h780b84a_0
- icu=58.2=hf484d3e_1000
- importlib-metadata=4.8.1=py37h89c1867_0
- importlib_metadata=4.8.1=hd8ed1ab_0
- ipykernel=6.4.1=py37h6531663_0
- ipython=7.28.0=py37h6531663_0
- ipython_genutils=0.2.0=py_1
- jedi=0.18.0=py37h89c1867_2
- jinja2=3.0.2=pyhd8ed1ab_0
- joblib=1.1.0=pyhd8ed1ab_0
- jpeg=9d=h36c2ea0_0
- jsonschema=4.1.0=pyhd8ed1ab_0
- jupyter_client=7.0.6=pyhd8ed1ab_0
- jupyter_core=4.8.1=py37h89c1867_0
- jupyterlab_pygments=0.1.2=pyh9f0ad1d_0
- kiwisolver=1.3.2=py37h2527ec5_0
- ld_impl_linux-64=2.36.1=hea4e1c9_2
- libblas=3.9.0=12_linux64_openblas
- libboost=1.73.0=h3ff78a5_11
- libcblas=3.9.0=12_linux64_openblas
- libffi=3.4.2=h9c3ff4c_4
- libgcc-ng=11.2.0=h1d223b6_11
- libgfortran-ng=11.2.0=h69a702a_11
- libgfortran5=11.2.0=h5c6108e_11
- libglib=2.70.0=h174f98d_0
- libgomp=11.2.0=h1d223b6_11
- libiconv=1.16=h516909a_0
- liblapack=3.9.0=12_linux64_openblas
- libnsl=2.0.0=h7f98852_0
- libopenblas=0.3.18=pthreads_h8fe5266_0
- libpng=1.6.37=h21135ba_2
- libsodium=1.0.18=h36c2ea0_1
- libstdcxx-ng=11.2.0=he4da1e4_11
- libtiff=4.0.10=hc3755c2_1005
- libuuid=2.32.1=h7f98852_1000
- libxcb=1.13=h7f98852_1003
- libxml2=2.9.12=h03d6c58_0
- libzlib=1.2.11=h36c2ea0_1013
- lz4-c=1.9.3=h9c3ff4c_1
- markupsafe=2.0.1=py37h5e8e339_0
- matplotlib-base=3.4.3=py37h1058ff1_1
- matplotlib-inline=0.1.3=pyhd8ed1ab_0
- mistune=0.8.4=py37h5e8e339_1004
- mols2grid=0.1.0=pyhd8ed1ab_0
- nbclient=0.5.4=pyhd8ed1ab_0
- nbconvert=6.2.0=py37h89c1867_0
- nbformat=5.1.3=pyhd8ed1ab_0
- ncurses=6.2=h58526e2_4
- nest-asyncio=1.5.1=pyhd8ed1ab_0
- notebook=6.4.4=pyha770c72_0
- numpy=1.21.2=py37h31617e3_0
- olefile=0.46=pyh9f0ad1d_1
- openssl=3.0.0=h7f98852_1
- packaging=21.0=pyhd8ed1ab_0
- pandas=1.3.4=py37he8f5f7f_0
- pandoc=2.14.2=h7f98852_0
- pandocfilters=1.5.0=pyhd8ed1ab_0
- parso=0.8.2=pyhd8ed1ab_0
- patsy=0.5.2=pyhd8ed1ab_0
- pcre=8.45=h9c3ff4c_0
- pexpect=4.8.0=pyh9f0ad1d_2
- pickleshare=0.7.5=py_1003
- pip=21.3=pyhd8ed1ab_0
- pixman=0.38.0=h516909a_1003
- plotly=5.5.0=py_0
- prometheus_client=0.11.0=pyhd8ed1ab_0
- prompt-toolkit=3.0.20=pyha770c72_0
- pthread-stubs=0.4=h36c2ea0_1001
- ptyprocess=0.7.0=pyhd3deb0d_0
- py-boost=1.73.0=py37ha9443f7_11
- pycodestyle=2.8.0=pyhd3eb1b0_0
- pycparser=2.20=pyh9f0ad1d_2
- pygments=2.10.0=pyhd8ed1ab_0
- pyparsing=2.4.7=pyh9f0ad1d_0
- pyrsistent=0.17.3=py37h5e8e339_2
- python=3.7.10=hf930737_104_cpython
- python-dateutil=2.8.2=pyhd8ed1ab_0
- python_abi=3.7=2_cp37m
- pytz=2021.3=pyhd8ed1ab_0
- pyzmq=22.3.0=py37h336d617_0
- rdkit=2020.09.1.0=py37hd50e099_1
- readline=8.1=h46c0cb4_0
- scikit-learn=1.0=py37hf0f1638_1
- scipy=1.7.1=py37hf2a6cf1_0
- seaborn=0.11.2=hd8ed1ab_0
- seaborn-base=0.11.2=pyhd8ed1ab_0
- send2trash=1.8.0=pyhd8ed1ab_0
- setuptools=58.2.0=py37h89c1867_0
- six=1.16.0=pyh6c4a22f_0
- sqlite=3.36.0=h9cd32fc_2
- statsmodels=0.13.0=py37hb1e94ed_0
- tenacity=8.0.1=py37h06a4308_0
- terminado=0.12.1=py37h89c1867_0
- testpath=0.5.0=pyhd8ed1ab_0
- threadpoolctl=3.0.0=pyh8a188c0_0
- tk=8.6.11=h27826a3_1
- toml=0.10.2=pyhd3eb1b0_0
- tornado=6.1=py37h5e8e339_1
- tqdm=4.62.3=pyhd8ed1ab_0
- traitlets=5.1.0=pyhd8ed1ab_0
- typing_extensions=3.10.0.2=pyha770c72_0
- wcwidth=0.2.5=pyh9f0ad1d_2
- webencodings=0.5.1=py_1
- wheel=0.37.0=pyhd8ed1ab_1
- xorg-kbproto=1.0.7=h7f98852_1002
- xorg-libice=1.0.10=h7f98852_0
- xorg-libsm=1.2.3=hd9c2040_1000
- xorg-libx11=1.7.2=h7f98852_0
- xorg-libxau=1.0.9=h7f98852_0
- xorg-libxdmcp=1.1.3=h7f98852_0
- xorg-libxext=1.3.4=h7f98852_1
- xorg-libxrender=0.9.10=h7f98852_1003
- xorg-renderproto=0.11.1=h7f98852_1002
- xorg-xextproto=7.3.0=h7f98852_1002
- xorg-xproto=7.0.31=h7f98852_1007
- xz=5.2.5=h516909a_1
- zeromq=4.3.4=h9c3ff4c_1
- zipp=3.6.0=pyhd8ed1ab_0
- zlib=1.2.11=h36c2ea0_1013
- zstd=1.4.9=ha95c52a_0
- pip:
- ansi2html==1.6.0
- brotli==1.0.9
- charset-normalizer==2.0.9
- coverage==6.3.1
- coverage-badge==1.1.0
- cryptography==36.0.1
- cython==0.29.26
- dash==2.0.0
- dash-core-components==2.0.0
- dash-html-components==2.0.0
- dash-table==5.0.0
- docutils==0.18.1
- flask-compress==1.10.1
- idna==3.3
- jeepney==0.7.1
- jupyter-dash==0.4.0
- kdepy==1.1.0
- keyring==23.5.0
- molplotly==0.12
- pillow==9.0.0
- pkginfo==1.8.2
- pytest==7.0.1
- pytest-cov==3.0.0
- readme-renderer==32.0
- requests==2.27.0
- requests-toolbelt==0.9.1
- retrying==1.3.3
- rfc3986==2.0.0
- secretstorage==3.3.1
- twine==3.8.0
- urllib3==1.26.7
- werkzeug==2.0.2