rdkit-db/rdkit-db.yml at main · icredd-cheminfo/rdkit-db · GitHub

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name: rdkit-db
channels:
  - conda-forge
  - defaults
dependencies:
  - boost=1.74.0=py38h692b87f_3
  - boost-cpp=1.74.0=hff03dee_4
  - bzip2=1.0.8=h0d85af4_4
  - ca-certificates=2021.5.30=h033912b_0
  - cairo=1.16.0=he43a7df_1008
  - certifi=2021.5.30=py38h50d1736_0
  - cycler=0.10.0=py_2
  - fontconfig=2.13.1=h10f422b_1005
  - freetype=2.10.4=h4cff582_1
  - gettext=0.19.8.1=h7937167_1005
  - greenlet=1.1.1=py38ha048514_0
  - icu=68.1=h74dc148_0
  - jbig=2.1=h0d85af4_2003
  - jpeg=9d=hbcb3906_0
  - kiwisolver=1.3.1=py38h12bbefe_1
  - lcms2=2.12=h577c468_0
  - lerc=2.2.1=h046ec9c_0
  - libblas=3.9.0=11_osx64_openblas
  - libcblas=3.9.0=11_osx64_openblas
  - libcxx=12.0.1=habf9029_0
  - libdeflate=1.7=h35c211d_5
  - libffi=3.3=h046ec9c_2
  - libgfortran=5.0.0=9_3_0_h6c81a4c_23
  - libgfortran5=9.3.0=h6c81a4c_23
  - libglib=2.68.3=hd556434_0
  - libiconv=1.16=haf1e3a3_0
  - liblapack=3.9.0=11_osx64_openblas
  - libopenblas=0.3.17=openmp_h3351f45_1
  - libpng=1.6.37=h7cec526_2
  - libtiff=4.3.0=h1167814_1
  - libwebp-base=1.2.0=h0d85af4_2
  - libxml2=2.9.12=h93ec3fd_0
  - llvm-openmp=12.0.1=hda6cdc1_1
  - lz4-c=1.9.3=he49afe7_1
  - matplotlib-base=3.4.3=py38hc7d2367_0
  - ncurses=6.2=h2e338ed_4
  - numpy=1.21.1=py38had91d27_0
  - olefile=0.46=pyh9f0ad1d_1
  - openjpeg=2.4.0=h6e7aa92_1
  - openssl=1.1.1k=h0d85af4_0
  - pcre=8.45=he49afe7_0
  - pillow=8.3.1=py38hee640a0_0
  - pip=21.2.4=pyhd8ed1ab_0
  - pixman=0.40.0=hbcb3906_0
  - pycairo=1.20.1=py38h53d24c6_0
  - pyparsing=2.4.7=pyh9f0ad1d_0
  - python=3.8.10=h0e5c897_0_cpython
  - python-dateutil=2.8.2=pyhd8ed1ab_0
  - python_abi=3.8=2_cp38
  - pytz=2021.1=pyhd8ed1ab_0
  - rdkit=2021.03.4=py38hba24be9_0
  - readline=8.1=h05e3726_0
  - reportlab=3.5.68=py38hf6ac518_0
  - setuptools=49.6.0=py38h50d1736_3
  - six=1.16.0=pyh6c4a22f_0
  - sqlalchemy=1.4.22=py38h96a0964_0
  - sqlite=3.36.0=h23a322b_0
  - tk=8.6.10=h0419947_1
  - tornado=6.1=py38h96a0964_1
  - wheel=0.37.0=pyhd8ed1ab_1
  - xz=5.2.5=haf1e3a3_1
  - zlib=1.2.11=h7795811_1010
  - zstd=1.5.0=h582d3a0_0
  - pip:
    - click==8.0.1
    - et-xmlfile==1.1.0
    - openpyxl==3.0.7
    - pandas==1.3.2
    - pony==0.7.14
    - psycopg2==2.9.1
prefix: /Users/aigul/miniconda3/envs/rdkit-db