deepdrug3D/config.yml

name: projet-dl
channels:
  - defaults
dependencies:
  - _libgcc_mutex=0.1=main
  - attrs=19.1.0=py37_1
  - backcall=0.1.0=py37_0
  - blas=1.0=mkl
  - bleach=3.1.0=py37_0
  - ca-certificates=2019.5.15=1
  - certifi=2019.6.16=py37_1
  - dbus=1.13.6=h746ee38_0
  - decorator=4.4.0=py37_1
  - defusedxml=0.6.0=py_0
  - entrypoints=0.3=py37_0
  - expat=2.2.6=he6710b0_0
  - fontconfig=2.13.0=h9420a91_0
  - freetype=2.9.1=h8a8886c_1
  - glib=2.56.2=hd408876_0
  - gmp=6.1.2=h6c8ec71_1
  - gst-plugins-base=1.14.0=hbbd80ab_1
  - gstreamer=1.14.0=hb453b48_1
  - icu=58.2=h9c2bf20_1
  - intel-openmp=2019.4=243
  - ipykernel=5.1.2=py37h39e3cac_0
  - ipython=7.8.0=py37h39e3cac_0
  - ipython_genutils=0.2.0=py37_0
  - ipywidgets=7.5.1=py_0
  - jedi=0.15.1=py37_0
  - jinja2=2.10.1=py37_0
  - jpeg=9b=h024ee3a_2
  - json5=0.8.5=py_0
  - jsonschema=3.0.2=py37_0
  - jupyter=1.0.0=py37_7
  - jupyter_client=5.3.1=py_0
  - jupyter_console=6.0.0=py37_0
  - jupyter_core=4.5.0=py_0
  - jupyterlab=1.1.3=pyhf63ae98_0
  - jupyterlab_server=1.0.0=py_1
  - 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
  - libsodium=1.0.16=h1bed415_0
  - libstdcxx-ng=9.1.0=hdf63c60_0
  - libuuid=1.0.3=h1bed415_2
  - libxcb=1.13=h1bed415_1
  - libxml2=2.9.9=hea5a465_1
  - markupsafe=1.1.1=py37h7b6447c_0
  - mistune=0.8.4=py37h7b6447c_0
  - mkl=2019.4=243
  - mkl-service=2.3.0=py37he904b0f_0
  - mkl_fft=1.0.14=py37ha843d7b_0
  - mkl_random=1.0.2=py37hd81dba3_0
  - nbconvert=5.5.0=py_0
  - nbformat=4.4.0=py37_0
  - ncurses=6.1=he6710b0_1
  - notebook=6.0.1=py37_0
  - numpy=1.16.5=py37h7e9f1db_0
  - numpy-base=1.16.5=py37hde5b4d6_0
  - openssl=1.1.1d=h7b6447c_1
  - pandas=0.25.1=py37he6710b0_0
  - pandoc=2.2.3.2=0
  - pandocfilters=1.4.2=py37_1
  - parso=0.5.1=py_0
  - pcre=8.43=he6710b0_0
  - pexpect=4.7.0=py37_0
  - pickleshare=0.7.5=py37_0
  - pip=19.2.2=py37_0
  - prometheus_client=0.7.1=py_0
  - prompt_toolkit=2.0.9=py37_0
  - ptyprocess=0.6.0=py37_0
  - pygments=2.4.2=py_0
  - pyqt=5.9.2=py37h05f1152_2
  - pyrsistent=0.14.11=py37h7b6447c_0
  - python=3.7.4=h265db76_1
  - python-dateutil=2.8.0=py37_0
  - pytz=2019.2=py_0
  - pyzmq=18.1.0=py37he6710b0_0
  - qt=5.9.7=h5867ecd_1
  - qtconsole=4.5.5=py_0
  - readline=7.0=h7b6447c_5
  - scipy=1.3.1=py37h7c811a0_0
  - send2trash=1.5.0=py37_0
  - setuptools=41.0.1=py37_0
  - sip=4.19.8=py37hf484d3e_0
  - six=1.12.0=py37_0
  - sqlite=3.29.0=h7b6447c_0
  - terminado=0.8.2=py37_0
  - testpath=0.4.2=py37_0
  - tk=8.6.8=hbc83047_0
  - tornado=6.0.3=py37h7b6447c_0
  - traitlets=4.3.2=py37_0
  - wcwidth=0.1.7=py37_0
  - webencodings=0.5.1=py37_1
  - wheel=0.33.4=py37_0
  - widgetsnbextension=3.5.1=py37_0
  - xz=5.2.4=h14c3975_4
  - zeromq=4.3.1=he6710b0_3
  - zlib=1.2.11=h7b6447c_3
  - pip:
    - biopython==1.74
    - cycler==0.10.0
    - griddataformats==0.5.0
    - gsd==1.8.1
    - joblib==0.13.2
    - kiwisolver==1.1.0
    - matplotlib==3.1.1
    - mdanalysis==0.20.1
    - mmtf-python==1.1.2
    - mock==3.0.5
    - msgpack==0.6.1
    - networkx==2.3
    - pbxplore==1.3.8
    - pillow==6.1.0
    - pyclustering==0.9.1
    - pyparsing==2.4.2
    - keras
    - sklearn