rga.yml

name: rga
channels:
  - rdkit
  - openbabel
  - bioconda
  - anaconda
  - soumith
  - defaults
dependencies:
  - _libgcc_mutex=0.1=main
  - _openmp_mutex=4.5=1_gnu
  - blas=1.0=mkl
  - bzip2=1.0.8=h7b6447c_0
  - ca-certificates=2020.10.14=0
  - cairo=1.16.0=hf32fb01_1
  - certifi=2020.6.20=py37_0
  - fontconfig=2.13.1=h6c09931_0
  - freetype=2.10.4=h5ab3b9f_0
  - glib=2.68.2=h36276a3_0
  - icu=58.2=he6710b0_3
  - intel-openmp=2021.2.0=h06a4308_610
  - jpeg=9b=h024ee3a_2
  - lcms2=2.12=h3be6417_0
  - ld_impl_linux-64=2.35.1=h7274673_9
  - libboost=1.73.0=h3ff78a5_11
  - libffi=3.3=he6710b0_2
  - libgcc-ng=9.3.0=h5101ec6_17
  - libgfortran-ng=7.3.0=hdf63c60_0
  - libgomp=9.3.0=h5101ec6_17
  - libpng=1.6.37=hbc83047_0
  - libstdcxx-ng=9.3.0=hd4cf53a_17
  - libtiff=4.2.0=h85742a9_0
  - libuuid=1.0.3=h1bed415_2
  - libwebp-base=1.2.0=h27cfd23_0
  - libxcb=1.14=h7b6447c_0
  - libxml2=2.9.10=hb55368b_3
  - lz4-c=1.9.3=h2531618_0
  - mgltools=1.5.7=h9ee0642_1
  - mkl=2021.2.0=h06a4308_296
  - mkl-service=2.3.0=py37h27cfd23_1
  - mkl_fft=1.3.0=py37h42c9631_2
  - mkl_random=1.2.1=py37ha9443f7_2
  - mpi=1.0=mpich
  - mpi4py=3.0.3=py37hf046da1_1
  - mpich=3.3.2=hc856adb_0
  - ncurses=6.2=he6710b0_1
  - numpy=1.20.2=py37h2d18471_0
  - numpy-base=1.20.2=py37hfae3a4d_0
  - olefile=0.46=py_0
  - openbabel=2.4.1=py37_6
  - openssl=1.1.1h=h7b6447c_0
  - pandas=1.2.4=py37h2531618_0
  - pcre=8.44=he6710b0_0
  - pillow=8.2.0=py37he98fc37_0
  - pip=21.1.2=py37h06a4308_0
  - pixman=0.40.0=h7b6447c_0
  - py-boost=1.73.0=py37ha9443f7_11
  - python=3.7.9=h7579374_0
  - python-dateutil=2.8.1=pyhd3eb1b0_0
  - pytz=2021.1=pyhd3eb1b0_0
  - rdkit=2020.09.1.0=py37hd50e099_1
  - readline=8.1=h27cfd23_0
  - setuptools=52.0.0=py37h06a4308_0
  - six=1.15.0=pyhd3eb1b0_0
  - sqlite=3.35.4=hdfb4753_0
  - tk=8.6.10=hbc83047_0
  - wheel=0.36.2=pyhd3eb1b0_0
  - xz=5.2.5=h7b6447c_0
  - zlib=1.2.11=h7b6447c_3
  - zstd=1.4.9=haebb681_0
  - pip:
    - cycler==0.10.0
    - func-timeout==4.3.5
    - kiwisolver==1.3.1
    - matplotlib==3.4.2
    - pyparsing==2.4.7
    - scipy==1.6.3
    - scoria==1.0.5
    - torch==1.11.0
    - tqdm==4.64.0
    - typing-extensions==4.1.1
prefix: /nethome/tfu42/.conda/envs/autogrow