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casp_env.yml
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casp_env.yml
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name: synthplan
channels:
- rdkit
- conda-forge
- anaconda
- defaults
dependencies:
- _libgcc_mutex=0.1=main
- _tflow_select=2.1.0=gpu
- absl-py=0.8.1=py36_0
- astor=0.8.0=py36_0
- attrs=19.3.0=py_0
- backcall=0.1.0=py36_0
- blas=1.0=mkl
- bleach=3.1.0=py36_0
- blosc=1.16.3=hd408876_0
- bzip2=1.0.8=h7b6447c_0
- c-ares=1.15.0=h7b6447c_1001
- ca-certificates=2019.10.16=0
- cairo=1.14.12=h8948797_3
- certifi=2019.9.11=py36_0
- cudatoolkit=9.0=h13b8566_0
- cudnn=7.1.2=cuda9.0_0
- cupti=9.0.176=0
- cycler=0.10.0=py36_0
- dbus=1.13.12=h746ee38_0
- decorator=4.4.1=py_0
- expat=2.2.6=he6710b0_0
- fontconfig=2.13.0=h9420a91_0
- freetype=2.9.1=h8a8886c_1
- gast=0.3.2=py_0
- glib=2.63.1=h5a9c865_0
- gmp=6.1.2=h6c8ec71_1
- grpcio=1.16.1=py36hf8bcb03_1
- gst-plugins-base=1.14.0=hbbd80ab_1
- gstreamer=1.14.0=hb453b48_1
- h5py=2.9.0=py36h7918eee_0
- hdf5=1.10.4=hb1b8bf9_0
- icu=58.2=h9c2bf20_1
- imbalanced-learn=0.4.3=py_0
- importlib_metadata=0.23=py36_0
- intel-openmp=2019.4=243
- ipykernel=5.1.0=py36h39e3cac_0
- ipython=7.9.0=py36h39e3cac_0
- ipython_genutils=0.2.0=py36_0
- jedi=0.15.1=py36_0
- jinja2=2.10.3=py_0
- jpeg=9b=h024ee3a_2
- jupyter=1.0.0=py36_7
- jupyter_client=5.3.4=py36_0
- jupyter_console=6.0.0=py36_0
- jupyter_core=4.6.1=py36_0
- keras-applications=1.0.8=py_0
- keras-preprocessing=1.1.0=py_1
- kiwisolver=1.1.0=py36he6710b0_0
- libboost=1.65.1=habcd387_4
- libedit=3.1.20181209=hc058e9b_0
- libffi=3.2.1=hd88cf55_4
- libgcc-ng=9.1.0=hdf63c60_0
- libgfortran-ng=7.3.0=hdf63c60_0
- libpng=1.6.37=hbc83047_0
- libprotobuf=3.10.1=hd408876_0
- libsodium=1.0.16=h1bed415_0
- libstdcxx-ng=9.1.0=hdf63c60_0
- libtiff=4.1.0=h2733197_0
- libuuid=1.0.3=h1bed415_2
- libxcb=1.13=h1bed415_1
- libxml2=2.9.9=hea5a465_1
- lz4-c=1.8.1.2=h14c3975_0
- lzo=2.10=h49e0be7_2
- markdown=3.1.1=py36_0
- markupsafe=1.1.1=py36h7b6447c_0
- matplotlib=3.0.2=py36h5429711_0
- mistune=0.8.4=py36h7b6447c_0
- mkl=2019.4=243
- mkl-service=2.3.0=py36he904b0f_0
- mkl_fft=1.0.15=py36ha843d7b_0
- mkl_random=1.1.0=py36hd6b4f25_0
- more-itertools=7.2.0=py36_0
- ncurses=6.1=he6710b0_1
- numexpr=2.7.0=py36h9e4a6bb_0
- numpy=1.17.3=py36hd14ec0e_0
- numpy-base=1.17.3=py36hde5b4d6_0
- olefile=0.46=py36_0
- openssl=1.1.1d=h7b6447c_3
- pandas=0.25.2=py36he6710b0_0
- pandoc=2.2.3.2=0
- pandocfilters=1.4.2=py36_1
- parso=0.5.1=py_0
- patsy=0.5.1=py36_0
- pcre=8.43=he6710b0_0
- pexpect=4.7.0=py36_0
- pickleshare=0.7.5=py36_0
- pillow=6.2.1=py36h34e0f95_0
- pip=19.3.1=py36_0
- pixman=0.38.0=h7b6447c_0
- prometheus_client=0.7.1=py_0
- prompt_toolkit=2.0.10=py_0
- protobuf=3.10.1=py36he6710b0_0
- ptyprocess=0.6.0=py36_0
- py-boost=1.65.1=py36hf484d3e_4
- pygments=2.4.2=py_0
- pyparsing=2.4.5=py_0
- pyqt=5.9.2=py36h05f1152_2
- pyrsistent=0.15.5=py36h7b6447c_0
- pytables=3.4.4=py36h71ec239_0
- python=3.6.9=h265db76_0
- python-dateutil=2.8.1=py_0
- pytz=2019.3=py_0
- pyzmq=18.1.0=py36he6710b0_0
- qt=5.9.7=h5867ecd_1
- qtconsole=4.5.5=py_0
- rdkit=2018.09.1.0=py36h71b666b_1
- readline=7.0=h7b6447c_5
- scikit-learn=0.20.2=py36hd81dba3_0
- scipy=1.3.1=py36h7c811a0_0
- seaborn=0.9.0=py36_0
- setuptools=41.6.0=py36_0
- sip=4.19.8=py36hf484d3e_0
- six=1.13.0=py36_0
- snappy=1.1.7=hbae5bb6_3
- sqlite=3.30.1=h7b6447c_0
- statsmodels=0.10.1=py36hdd07704_0
- tensorboard=1.12.2=py36he6710b0_0
- tensorflow=1.12.0=gpu_py36he68c306_0
- tensorflow-base=1.12.0=gpu_py36h8e0ae2d_0
- tensorflow-gpu=1.12.0=h0d30ee6_0
- termcolor=1.1.0=py36_1
- testpath=0.4.4=py_0
- tk=8.6.8=hbc83047_0
- tornado=6.0.3=py36h7b6447c_0
- traitlets=4.3.3=py36_0
- wcwidth=0.1.7=py36_0
- webencodings=0.5.1=py36_1
- werkzeug=0.16.0=py_0
- wheel=0.33.6=py36_0
- xz=5.2.4=h14c3975_4
- zeromq=4.3.1=he6710b0_3
- zipp=0.6.0=py_0
- zlib=1.2.11=h7b6447c_3
- zstd=1.3.7=h0b5b093_0
- pip:
- aizynthfinder==0.1
- bokeh==1.4.0
- click==7.0
- cloudpickle==1.2.2
- dask==2.6.0
- defusedxml==0.6.0
- distributed==2.6.0
- entrypoints==0.3
- fsspec==0.5.2
- heapdict==1.0.1
- ipywidgets==7.5.1
- jsonschema==3.1.1
- llvmlite==0.30.0
- locket==0.2.0
- matplotlib-venn==0.11.5
- msgpack==0.6.2
- nbconvert==5.6.0
- nbformat==4.4.0
- networkx==2.3
- notebook==6.0.1
- numba==0.46.0
- packaging==19.2
- partd==1.0.0
- psutil==5.6.5
- send2trash==1.5.0
- sortedcontainers==2.1.0
- swifter==0.295
- tblib==1.5.0
- terminado==0.8.2
- toolz==0.10.0
- tqdm==4.37.0
- widgetsnbextension==3.5.1
- zict==1.0.0
prefix: /home/knwb390/miniconda3/envs/synthplan