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environment.yml
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environment.yml
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name: rdkit-db-env
channels:
- rdkit
- defaults
dependencies:
- blas=1.0=mkl
- bzip2=1.0.8=h1de35cc_0
- ca-certificates=2021.5.25=hecd8cb5_1
- cairo=1.16.0=h8023c5d_1
- certifi=2021.5.30=py37hecd8cb5_0
- fontconfig=2.13.1=ha9ee91d_0
- freetype=2.10.4=ha233b18_0
- gettext=0.21.0=h7535e17_0
- glib=2.68.2=hdf23fa2_0
- icu=58.2=h0a44026_3
- intel-openmp=2021.2.0=hecd8cb5_564
- jpeg=9b=he5867d9_2
- lcms2=2.12=hf1fd2bf_0
- libboost=1.73.0=hd4c2dcd_11
- libcxx=10.0.0=1
- libffi=3.3=hb1e8313_2
- libiconv=1.16=h1de35cc_0
- libpng=1.6.37=ha441bb4_0
- libtiff=4.2.0=h87d7836_0
- libwebp-base=1.2.0=h9ed2024_0
- libxml2=2.9.10=h7cdb67c_3
- llvm-openmp=10.0.0=h28b9765_0
- lz4-c=1.9.3=h23ab428_0
- mkl=2021.2.0=hecd8cb5_269
- mkl-service=2.3.0=py37h9ed2024_1
- mkl_fft=1.3.0=py37h4a7008c_2
- mkl_random=1.2.1=py37hb2f4e1b_2
- ncurses=6.2=h0a44026_1
- numpy=1.20.2=py37h4b4dc7a_0
- numpy-base=1.20.2=py37he0bd621_0
- olefile=0.46=py37_0
- openssl=1.1.1k=h9ed2024_0
- pandas=1.2.4=py37h23ab428_0
- pcre=8.44=hb1e8313_0
- pillow=8.2.0=py37h5270095_0
- pip=21.1.1=py37hecd8cb5_0
- pixman=0.40.0=haf1e3a3_0
- py-boost=1.73.0=py37hb2f4e1b_11
- python=3.7.10=h88f2d9e_0
- python-dateutil=2.8.1=pyhd3eb1b0_0
- pytz=2021.1=pyhd3eb1b0_0
- rdkit=2020.09.1.0=py37h81f2deb_1
- readline=8.1=h9ed2024_0
- setuptools=52.0.0=py37hecd8cb5_0
- six=1.15.0=py37hecd8cb5_0
- sqlite=3.35.4=hce871da_0
- tk=8.6.10=hb0a8c7a_0
- wheel=0.36.2=pyhd3eb1b0_0
- xz=5.2.5=h1de35cc_0
- zlib=1.2.11=h1de35cc_3
- zstd=1.4.9=h322a384_0
prefix: /Users/aigul/miniconda3/envs/rdkit-db-env