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environment.yml
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environment.yml
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name: cardiotox
channels:
- mordred-descriptor
- conda-forge
- bioconda
- defaults
dependencies:
- _libgcc_mutex=0.1=main
- attrs=19.3.0=py_0
- backcall=0.2.0=py_0
- blas=1.0=openblas
- bleach=3.1.5=py_0
- boost=1.72.0=py38h9de70de_0
- boost-cpp=1.72.0=h8e57a91_0
- brotlipy=0.7.0=py38h8df0ef7_1001
- bzip2=1.0.8=h516909a_2
- ca-certificates=2020.6.20=hecda079_0
- cairo=1.16.0=hcf35c78_1003
- certifi=2020.6.20=py38h924ce5b_2
- chardet=3.0.4=py38h924ce5b_1008
- cryptography=3.2.1=py38h7699a38_0
- cycler=0.10.0=py_2
- dbus=1.13.16=hb2f20db_0
- decorator=4.4.2=py_0
- defusedxml=0.6.0=py_0
- entrypoints=0.3=py38_0
- expat=2.2.9=he6710b0_2
- fontconfig=2.13.1=h86ecdb6_1001
- freetype=2.10.2=h5ab3b9f_0
- gettext=0.19.8.1=hc5be6a0_1002
- glib=2.65.0=h6f030ca_0
- gst-plugins-base=1.14.5=h0935bb2_2
- gstreamer=1.14.5=h36ae1b5_2
- icu=64.2=he1b5a44_1
- idna=2.10=pyh9f0ad1d_0
- importlib-metadata=1.7.0=py38_0
- importlib_metadata=1.7.0=0
- iniconfig=1.0.1=py_0
- ipykernel=5.3.3=py38h5ca1d4c_0
- ipython=7.16.1=py38h5ca1d4c_0
- ipython_genutils=0.2.0=py38_0
- ipywidgets=7.5.1=py_0
- jedi=0.17.1=py38_0
- jinja2=2.11.2=py_0
- jpeg=9d=h516909a_0
- json5=0.9.5=pyh9f0ad1d_0
- jsonschema=3.2.0=py38_0
- jupyter=1.0.0=py38_7
- jupyter_client=6.1.6=py_0
- jupyter_console=6.1.0=py_0
- jupyter_core=4.6.3=py38_0
- jupyterlab=2.2.9=py_0
- jupyterlab_server=1.2.0=py_0
- kiwisolver=1.2.0=py38hbf85e49_0
- lcms2=2.11=hbd6801e_0
- ld_impl_linux-64=2.34=hc38a660_9
- libblas=3.8.0=17_openblas
- libcblas=3.8.0=17_openblas
- libedit=3.1.20191231=h14c3975_1
- libffi=3.2.1=he1b5a44_1007
- libgcc-ng=9.1.0=hdf63c60_0
- libgfortran-ng=7.5.0=hdf63c60_11
- libiconv=1.15=h516909a_1006
- liblapack=3.8.0=17_openblas
- libopenblas=0.3.10=pthreads_hb3c22a3_4
- libpng=1.6.37=hbc83047_0
- libsodium=1.0.18=h7b6447c_0
- libstdcxx-ng=9.1.0=hdf63c60_0
- libtiff=4.1.0=hc7e4089_6
- libuuid=2.32.1=h14c3975_1000
- libwebp-base=1.1.0=h516909a_3
- libxcb=1.14=h7b6447c_0
- libxml2=2.9.10=hee79883_0
- lz4-c=1.9.2=he1b5a44_1
- markupsafe=1.1.1=py38h7b6447c_0
- matplotlib=3.3.0=1
- matplotlib-base=3.3.0=py38h91b0d89_1
- mistune=0.8.4=py38h7b6447c_1000
- mordred=1.2.0=pyhe5148d4_0
- more-itertools=8.4.0=py_0
- nbconvert=5.6.1=py38_0
- nbformat=5.0.7=py_0
- ncurses=6.2=he6710b0_1
- networkx=2.4=py_1
- notebook=6.0.3=py38_0
- numpy-base=1.19.1=py38h75fe3a5_0
- olefile=0.46=py_0
- openssl=1.1.1h=h516909a_0
- packaging=20.4=py_0
- pandas=1.1.0=py38h950e882_0
- pandoc=2.10=0
- pandocfilters=1.4.2=py38_1
- parso=0.7.0=py_0
- pcre=8.44=he6710b0_0
- pexpect=4.8.0=py38_0
- pickleshare=0.7.5=py38_1000
- pillow=7.2.0=py38h9776b28_1
- pip=20.1.1=py38_1
- pixman=0.38.0=h516909a_1003
- pluggy=0.13.1=py38_0
- prometheus_client=0.8.0=py_0
- prompt-toolkit=3.0.5=py_0
- prompt_toolkit=3.0.5=0
- ptyprocess=0.6.0=py38_0
- py=1.9.0=py_0
- pycairo=1.19.1=py38h323dad1_3
- pycparser=2.20=pyh9f0ad1d_2
- pygments=2.6.1=py_0
- pyopenssl=19.1.0=py_1
- pyparsing=2.4.7=py_0
- pyqt=5.9.2=py38h05f1152_4
- pyrsistent=0.16.0=py38h7b6447c_0
- pysocks=1.7.1=py38h924ce5b_2
- pytest=6.0.1=py38_0
- python=3.8.5=h425cb1d_1_cpython
- python-dateutil=2.8.1=py_0
- python_abi=3.8=1_cp38
- pytz=2020.1=pyh9f0ad1d_0
- pyzmq=19.0.1=py38he6710b0_1
- qt=5.9.7=h0c104cb_3
- qtconsole=4.7.5=py_0
- qtpy=1.9.0=py_0
- rdkit=2020.03.4=py38h10dae1c_0
- readline=8.0=h7b6447c_0
- requests=2.24.0=pyh9f0ad1d_0
- send2trash=1.5.0=py38_0
- setuptools=49.2.0=py38_0
- sip=4.19.13=py38he6710b0_0
- six=1.15.0=py_0
- sqlite=3.32.3=h62c20be_0
- terminado=0.8.3=py38_0
- testpath=0.4.4=py_0
- tk=8.6.10=hbc83047_0
- toml=0.10.1=py_0
- tornado=6.0.4=py38h7b6447c_1
- tqdm=4.47.0=py_0
- traitlets=4.3.3=py38_0
- wcwidth=0.2.5=py_0
- webencodings=0.5.1=py38_1
- wheel=0.34.2=py38_0
- widgetsnbextension=3.5.1=py38_0
- xlrd=1.2.0=py_0
- xorg-kbproto=1.0.7=h14c3975_1002
- xorg-libice=1.0.10=h516909a_0
- xorg-libsm=1.2.3=h84519dc_1000
- xorg-libx11=1.6.9=h516909a_0
- xorg-libxext=1.3.4=h516909a_0
- xorg-libxrender=0.9.10=h516909a_1002
- xorg-renderproto=0.11.1=h14c3975_1002
- xorg-xextproto=7.3.0=h14c3975_1002
- xorg-xproto=7.0.31=h14c3975_1007
- xz=5.2.5=h7b6447c_0
- zeromq=4.3.2=he6710b0_2
- zipp=3.1.0=py_0
- zlib=1.2.11=h7b6447c_3
- zstd=1.4.5=h6597ccf_2
- pip:
- tensorflow==2.3.1
- sklearn==0.0
- pybel==0.14.10
- keras==2.4.3