name: py37
channels:
  - schrodinger
  - defaults
dependencies:
  - _libgcc_mutex=0.1=main
  - _pytorch_select=0.2=gpu_0
  - apbs=1.5=h14c3975_3
  - asn1crypto=1.2.0=py37_0
  - astroid=2.3.1=py37_0
  - attrs=19.2.0=py_0
  - backcall=0.1.0=py37_0
  - blas=1.0=mkl
  - bleach=3.1.0=py37_0
  - blosc=1.16.3=hd408876_0
  - bzip2=1.0.8=h7b6447c_0
  - ca-certificates=2019.10.16=0
  - certifi=2019.9.11=py37_0
  - cffi=1.12.3=py37h2e261b9_0
  - chardet=3.0.4=py37_1003
  - cryptography=2.8=py37h1ba5d50_0
  - cudatoolkit=10.0.130=0
  - cudnn=7.6.0=cuda10.0_0
  - cycler=0.10.0=py37_0
  - cython=0.29.13=py37he6710b0_0
  - 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
  - freemol=1.158=py37_1
  - freetype=2.9.1=h8a8886c_1
  - glew=2.0.0=0
  - 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
  - h5py=2.9.0=py37h7918eee_0
  - hdf5=1.10.4=hb1b8bf9_0
  - icu=58.2=h9c2bf20_1
  - imageio=2.6.0=py37_0
  - 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
  - isort=4.3.21=py37_0
  - jedi=0.15.1=py37_0
  - jinja2=2.10.3=py_0
  - joblib=0.13.2=py37_0
  - jpeg=9b=h024ee3a_2
  - jsonschema=3.0.2=py37_0
  - jupyter=1.0.0=py37_7
  - jupyter_client=5.3.3=py37_1
  - jupyter_console=6.0.0=py37_0
  - jupyter_core=4.5.0=py_0
  - kiwisolver=1.1.0=py37he6710b0_0
  - lazy-object-proxy=1.4.2=py37h7b6447c_0
  - 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
  - libglu=9.0.0=hf484d3e_1
  - libopenblas=0.3.6=h5a2b251_2
  - libpng=1.6.37=hbc83047_0
  - libsodium=1.0.16=h1bed415_0
  - libstdcxx-ng=9.1.0=hdf63c60_0
  - libtiff=4.0.10=h2733197_2
  - libuuid=1.0.3=h1bed415_2
  - libxcb=1.13=h1bed415_1
  - libxml2=2.9.9=hea5a465_1
  - llvmlite=0.29.0=py37hd408876_0
  - lz4-c=1.8.1.2=h14c3975_0
  - lzo=2.10=h49e0be7_2
  - markupsafe=1.1.1=py37h7b6447c_0
  - matplotlib=3.1.1=py37h5429711_0
  - mccabe=0.6.1=py37_1
  - mengine=1=h14c3975_1
  - 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=1.1.0=py37hd6b4f25_0
  - mock=3.0.5=py37_0
  - mpeg_encode=1=h14c3975_1
  - mtz2ccp4_px=1.0=h9ac9557_3
  - nbconvert=5.6.0=py37_1
  - nbformat=4.4.0=py37_0
  - ncurses=6.1=he6710b0_1
  - ninja=1.9.0=py37hfd86e86_0
  - notebook=6.0.1=py37_0
  - numba=0.45.1=py37h962f231_0
  - numexpr=2.7.0=py37h9e4a6bb_0
  - numpy=1.17.2=py37haad9e8e_0
  - numpy-base=1.17.2=py37hde5b4d6_0
  - olefile=0.46=py37_0
  - openssl=1.1.1d=h7b6447c_3
  - pandas=0.25.1=py37he6710b0_0
  - pandoc=2.2.3.2=0
  - pandocfilters=1.4.2=py37_1
  - parso=0.5.1=py_0
  - patsy=0.5.1=py37_0
  - pcre=8.43=he6710b0_0
  - pdb2pqr=2.1.1=py37_1
  - pexpect=4.7.0=py37_0
  - pickleshare=0.7.5=py37_0
  - pillow=6.2.0=py37h34e0f95_0
  - pip=19.2.3=py37_0
  - pmw=2.0.1=py37_2
  - prometheus_client=0.7.1=py_0
  - prompt_toolkit=2.0.10=py_0
  - psutil=5.6.3=py37h7b6447c_0
  - ptyprocess=0.6.0=py37_0
  - pycodestyle=2.5.0=py37_0
  - pycparser=2.19=py37_0
  - pygments=2.4.2=py_0
  - pylint=2.4.2=py37_0
  - pymol=2.3.3=py37h75f9260_0
  - pyopengl=3.1.1a1=py37_0
  - pyopenssl=19.0.0=py37_0
  - pyparsing=2.4.2=py_0
  - pyqt=5.9.2=py37h05f1152_2
  - pyqtgraph=0.10.0=py37h28b3542_3
  - pyrsistent=0.15.4=py37h7b6447c_0
  - pysocks=1.7.1=py37_0
  - pytables=3.6.1=py37h71ec239_0
  - python=3.7.4=h265db76_1
  - python-dateutil=2.8.0=py37_0
  - python-levenshtein=0.12.0=py37h7b6447c_1001
  - pytorch=1.2.0=cuda100py37h938c94c_0
  - pytz=2019.3=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
  - requests=2.22.0=py37_0
  - rigimol=1.3=2
  - scikit-learn=0.21.3=py37hd81dba3_0
  - scipy=1.3.1=py37h7c811a0_0
  - seaborn=0.9.0=py37_0
  - send2trash=1.5.0=py37_0
  - setuptools=41.4.0=py37_0
  - sip=4.19.8=py37hf484d3e_0
  - six=1.12.0=py37_0
  - snappy=1.1.7=hbae5bb6_3
  - sqlite=3.30.0=h7b6447c_0
  - statsmodels=0.10.1=py37hdd07704_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
  - tqdm=4.36.1=py_0
  - traitlets=4.3.3=py37_0
  - wcwidth=0.1.7=py37_0
  - webencodings=0.5.1=py37_1
  - wheel=0.33.6=py37_0
  - widgetsnbextension=3.5.1=py37_0
  - wrapt=1.11.2=py37h7b6447c_0
  - xarray=0.13.0=py_0
  - xz=5.2.4=h14c3975_4
  - zeromq=4.3.1=he6710b0_3
  - zlib=1.2.11=h7b6447c_3
  - zstd=1.3.7=h0b5b093_0
  - pip:
    - alabaster==0.7.12
    - babel==2.7.0
    - docutils==0.15.2
    - idna==2.8
    - imagesize==1.1.0
    - packaging==19.2
    - snowballstemmer==2.0.0
    - sphinx==2.2.0
    - sphinxcontrib-applehelp==1.0.1
    - sphinxcontrib-devhelp==1.0.1
    - sphinxcontrib-htmlhelp==1.0.2
    - sphinxcontrib-jsmath==1.0.1
    - sphinxcontrib-qthelp==1.0.2
    - sphinxcontrib-serializinghtml==1.1.3
    - urllib3==1.25.6
prefix: /home/thijs/.conda/envs/py37