name: DeepPurpose

channels:

  - rdkit

  - pytorch

  - rmg

  - conda-forge

  - defaults

dependencies:

  - attrs=19.3.0

  - backcall=0.1.0

  - blas=1.0

  - bleach=3.1.0

  - botorch=0.2.2

  - bzip2=1.0.8

  - ca-certificates=2020.1.1

  - cairo=1.14.12

  - certifi=2019.11.28

  - cffi=1.14.0

  - cycler=0.10.0

  - decorator=4.4.2

  - defusedxml=0.6.0

  - descriptastorus=2.2.0

  - entrypoints=0.3

  - fontconfig=2.13.0

  - freetype=2.9.1

  - gettext=0.19.8.1

  - gpytorch=1.1.1

  - icu=58.2

  - importlib-metadata=1.5.0

  - intel-openmp=2019.4

  - ipykernel=5.1.4

  - ipython=7.13.0

  - ipython_genutils=0.2.0

  - jedi=0.16.0

  - jinja2=2.11.1

  - joblib=0.14.1

  - jpeg=9b

  - jsonschema=3.2.0

  - jupyter_client=6.1.2

  - jupyter_core=4.6.3

  - kiwisolver=1.1.0

  - libblas=3.8.0

  - libboost=1.67.0

  - libcblas=3.8.0

  - libffi=3.2.1

  - libiconv=1.15

  - liblapack=3.8.0

  - libpng=1.6.37

  - libsodium=1.0.16

  - libtiff=4.1.0

  - libxml2=2.9.9

  - llvm-openmp=9.0.1

  - lz4=3.0.2

  - lz4-c=1.8.3

  - markupsafe=1.1.1

  - matplotlib=3.1.3

  - matplotlib-base=3.1.3

  - mistune=0.8.4

  - mkl=2019.4

  - mkl-service=2.3.0

  - mkl_fft=1.0.15

  - mkl_random=1.1.0

  - nbconvert=5.6.1

  - nbformat=5.0.4

  - ninja=1.9.0

  - notebook=6.0.3

  - numpy=1.18.1

  - numpy-base=1.18.1

  - olefile=0.46

  - openssl=1.1.1f

  - pandas=1.0.3

  - pandoc=2.2.3.2=0

  - pandocfilters=1.4.2

  - parso=0.6.2

  - pcre=8.43

  - pexpect=4.8.0

  - pickleshare=0.7.5

  - pillow=7.0.0

  - pip=20.0.2

  - pixman=0.38.0

  - prometheus_client=0.7.1

  - prompt-toolkit=3.0.4

  - ptyprocess=0.6.0

  - py-boost=1.67.0

  - pycparser=2.20

  - pygments=2.6.1

  - pyparsing=2.4.6

  - pyrsistent=0.16.0

  - python=3.7.7

  - python-dateutil=2.8.1

  - python_abi=3.7

  - pytorch=1.4.0

  - pytz=2019.3

  - pyzmq=18.1.1

  - scikit-learn=0.22.1

  - scikit-plot=0.3.7

  - scipy=1.4.1

  - seaborn=0.11.0

  - send2trash=1.5.0

  - setuptools=46.1.3

  - six=1.14.0=py_1

  - sqlite=3.31.1

  - tensorboard=2.1.0

  - terminado=0.8.3

  - testpath=0.4.4

  - tk=8.6.8

  - torchvision=0.5.0

  - tornado=6.0.4

  - tqdm=4.44.1

  - traitlets=4.3.3

  - wcwidth=0.1.9

  - webencodings=0.5.1

  - wheel=0.34.2

  - xz=5.2.4

  - zeromq=4.3.1

  - zipp=2.2.0

  - zlib=1.2.11

  - zstd=1.3.7

  - pip:

    - alabaster==0.7.12

    - autograd==1.3

    - autograd-gamma==0.4.2

    - ax-platform==0.1.11

    - babel==2.8.0

    - chardet==3.0.4

    - docutils==0.16

    - future==0.18.2

    - idna==2.9

    - imagesize==1.2.0

    - lifelines==0.24.3

    - packaging==20.3

    - prettytable==0.7.2

    - requests==2.23.0

    - snowballstemmer==2.0.0

    - subword-nmt==0.3.7

    - urllib3==1.25.8

    - wget==3.2