mimosa.yml

name: mimosa
channels:
  - rdkit
  - pytorch
  - anaconda
  - defaults
dependencies:
  - blas=1.0=mkl
  - bzip2=1.0.8=h1de35cc_0
  - ca-certificates=2020.1.1=0
  - cairo=1.14.12=hc4e6be7_4
  - certifi=2020.4.5.1=py37_0
  - cffi=1.14.0=py37hb5b8e2f_0
  - fontconfig=2.13.0=h5d5b041_1
  - freetype=2.9.1=hb4e5f40_0
  - gettext=0.19.8.1=h15daf44_3
  - glib=2.63.1=hd977a24_0
  - icu=58.2=h0a44026_3
  - intel-openmp=2019.4=233
  - joblib=0.14.1=py_0
  - jpeg=9b=he5867d9_2
  - libboost=1.67.0=hebc422b_4
  - libcxx=4.0.1=hcfea43d_1
  - libcxxabi=4.0.1=hcfea43d_1
  - libedit=3.1.20181209=hb402a30_0
  - libffi=3.2.1=h0a44026_6
  - libgfortran=3.0.1=h93005f0_2
  - libiconv=1.16=h1de35cc_0
  - libpng=1.6.37=ha441bb4_0
  - libtiff=4.1.0=hcb84e12_0
  - libxml2=2.9.9=hf6e021a_1
  - llvm-openmp=4.0.1=hcfea43d_1
  - mkl=2019.4=233
  - mkl-service=2.3.0=py37hfbe908c_0
  - mkl_fft=1.0.15=py37h5e564d8_0
  - mkl_random=1.1.0=py37ha771720_0
  - ncurses=6.2=h0a44026_1
  - ninja=1.9.0=py37h04f5b5a_0
  - numpy=1.18.1=py37h7241aed_0
  - numpy-base=1.18.1=py37h6575580_1
  - olefile=0.46=py37_0
  - openssl=1.1.1g=h1de35cc_0
  - pandas=1.0.3=py37h6c726b0_0
  - pcre=8.43=h0a44026_0
  - pillow=7.0.0=py37h4655f20_0
  - pip=20.0.2=py37_1
  - pixman=0.38.0=h1de35cc_0
  - py-boost=1.67.0=py37h6440ff4_4
  - pycparser=2.20=py_0
  - python=3.7.7=hc70fcce_0_cpython
  - python-dateutil=2.8.1=py_0
  - pytorch=1.0.1=py3.7_2
  - pytz=2019.3=py_0
  - rdkit=2020.03.1.0=py37h65625ec_1
  - readline=8.0=h1de35cc_0
  - scikit-learn=0.21.3=py37h27c97d8_0
  - scipy=1.4.1=py37h9fa6033_0
  - setuptools=46.1.3=py37_0
  - six=1.14.0=py37_0
  - sqlite=3.31.1=h5c1f38d_1
  - tk=8.6.8=ha441bb4_0
  - tqdm=4.45.0=py_0
  - wheel=0.34.2=py37_0
  - xz=5.2.5=h1de35cc_0
  - zlib=1.2.11=h1de35cc_3
  - zstd=1.3.7=h5bba6e5_0
  - pip:
    - decorator==4.4.2
    - isodate==0.6.0
    - molvs==0.1.1
    - networkx==2.4
    - plyfile==0.7.2
    - protobuf==3.11.3
    - pyparsing==2.4.7
    - rdflib==5.0.0
    - tensorboardx==2.0
    - torch-cluster==1.2.4
    - torch-geometric==1.0.3
    - torch-scatter==1.1.2
    - torch-sparse==0.2.4
    - torch-spline-conv==1.0.6