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environment.yml
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name: bioinfo_env
channels:
- conda-forge
- defaults
dependencies:
- _openmp_mutex=4.5=2_gnu
- _py-xgboost-mutex=2.0=cpu_0
- atomicwrites=1.4.0=py_0
- attrs=24.2.0=py38haa95532_0
- blas=1.0=mkl
- boost=1.74.0=py38he5193b3_5
- boost-cpp=1.74.0=h9f4b32c_8
- brotli=1.1.0=h2466b09_2
- brotli-bin=1.1.0=h2466b09_2
- brotli-python=1.0.9=py38hd77b12b_8
- bzip2=1.0.8=h2466b09_7
- ca-certificates=2024.9.24=haa95532_0
- cairo=1.18.0=h32b962e_3
- certifi=2024.8.30=py38haa95532_0
- cffi=1.17.1=py38h827c3e9_0
- chardet=5.2.0=py38haa244fe_1
- charset-normalizer=3.3.2=pyhd3eb1b0_0
- chembl_webresource_client=0.10.9=pyhd8ed1ab_0
- click=7.1.2=pyhd3eb1b0_0
- colorama=0.4.6=py38haa95532_0
- contourpy=1.1.1=py38hb1fd069_1
- cycler=0.12.1=pyhd8ed1ab_0
- easydict=1.9=py_0
- expat=2.6.3=he0c23c2_0
- font-ttf-dejavu-sans-mono=2.37=hab24e00_0
- font-ttf-inconsolata=3.000=h77eed37_0
- font-ttf-source-code-pro=2.038=h77eed37_0
- font-ttf-ubuntu=0.83=h77eed37_3
- fontconfig=2.14.2=hbde0cde_0
- fonts-conda-ecosystem=1=0
- fonts-conda-forge=1=0
- fonttools=4.53.1=py38h4cb3324_0
- freetype=2.12.1=hdaf720e_2
- freetype-py=2.3.0=pyhd8ed1ab_0
- gevent=23.9.1=py38h2bbff1b_0
- glib=2.82.2=h7025463_0
- glib-tools=2.82.2=h4394cf3_0
- greenlet=3.0.3=py38hd3f51b4_0
- grequests=0.6.0=pyh9f0ad1d_0
- gst-plugins-base=1.24.7=hb0a98b8_0
- gstreamer=1.24.7=h5006eae_0
- icc_rt=2022.1.0=h6049295_2
- icu=75.1=he0c23c2_0
- idna=3.7=py38haa95532_0
- importlib-resources=6.4.5=pyhd8ed1ab_0
- importlib_resources=6.4.5=pyhd8ed1ab_0
- intel-openmp=2023.1.0=h59b6b97_46320
- itsdangerous=2.2.0=py38haa95532_0
- joblib=1.0.0=pyhd3eb1b0_0
- kiwisolver=1.4.5=py38hb1fd069_1
- krb5=1.21.3=hdf4eb48_0
- lazypredict=0.2.12=pyhd8ed1ab_0
- lcms2=2.16=h67d730c_0
- lerc=4.0.0=h63175ca_0
- libblas=3.9.0=8_mkl
- libbrotlicommon=1.1.0=h2466b09_2
- libbrotlidec=1.1.0=h2466b09_2
- libbrotlienc=1.1.0=h2466b09_2
- libcblas=3.9.0=8_mkl
- libclang13=19.1.2=default_ha5278ca_1
- libdeflate=1.22=h2466b09_0
- libexpat=2.6.3=he0c23c2_0
- libffi=3.4.4=hd77b12b_1
- libgcc=14.2.0=h1383e82_1
- libglib=2.82.2=h7025463_0
- libgomp=14.2.0=h1383e82_1
- libiconv=1.17=hcfcfb64_2
- libintl=0.22.5=h5728263_3
- libintl-devel=0.22.5=h5728263_3
- libjpeg-turbo=3.0.0=hcfcfb64_1
- liblapack=3.9.0=8_mkl
- libogg=1.3.5=h2bbff1b_1
- libpng=1.6.44=h3ca93ac_0
- libpq=16.4=hab9416b_3
- libsqlite=3.47.0=h2466b09_0
- libtiff=4.7.0=hfc51747_1
- libvorbis=1.3.7=he774522_0
- libwebp-base=1.4.0=hcfcfb64_0
- libwinpthread=12.0.0.r4.gg4f2fc60ca=h57928b3_8
- libxcb=1.17.0=h0e4246c_0
- libxgboost=2.0.3=h5da7b33_1
- libzlib=1.3.1=h2466b09_2
- lightgbm=2.3.1=py38h6538335_0
- matplotlib=3.5.1=py38haa95532_1
- matplotlib-base=3.5.1=py38h1f000d6_0
- mkl=2020.4=hb70f87d_311
- mkl-service=2.3.0=py38h196d8e1_0
- more-itertools=10.3.0=py38haa95532_0
- munkres=1.1.4=pyh9f0ad1d_0
- numpy=1.19.1=py38h72c728b_0
- openjdk=11.0.13=h2bbff1b_0
- openjpeg=2.5.2=h3d672ee_0
- openssl=3.3.2=h2466b09_0
- packaging=24.1=pyhd8ed1ab_0
- padelpy=0.1.16=pyhd8ed1ab_0
- pandas=1.0.5=py38h47e9c7a_0
- pcre2=10.44=h3d7b363_2
- pillow=10.4.0=py38h8d10685_0
- pip=24.2=py38haa95532_0
- pixman=0.43.4=h63175ca_0
- platformdirs=3.10.0=py38haa95532_0
- pluggy=0.13.1=py38haa95532_0
- ply=3.11=py38_0
- pooch=1.7.0=py38haa95532_0
- pthread-stubs=0.4=h0e40799_1002
- py=1.11.0=pyhd3eb1b0_0
- py-xgboost=2.0.3=py38haa95532_1
- pycairo=1.26.1=py38h3b102ae_0
- pycparser=2.21=pyhd3eb1b0_0
- pyparsing=3.0.9=py38haa95532_0
- pyqt=5.15.10=py38hd77b12b_0
- pyqt5-sip=12.13.0=py38h2bbff1b_0
- pysocks=1.7.1=py38haa95532_0
- pytest=5.4.3=py38haa95532_0
- python=3.8.20=h8205438_0
- python-dateutil=2.9.0=pyhd8ed1ab_0
- python-tzdata=2024.2=pyhd8ed1ab_0
- python_abi=3.8=2_cp38
- pytz=2024.2=pyhd8ed1ab_0
- pyyaml=5.3.1=py38he774522_1
- qt-main=5.15.8=h264fbc2_26
- rdkit=2021.09.5=py38h6643f78_0
- reportlab=4.2.2=py38h4cb3324_0
- requests=2.32.3=py38haa95532_0
- requests-cache=0.6.4=pyhd8ed1ab_0
- rlpycairo=0.2.0=pyhd8ed1ab_0
- scikit-learn=0.23.1=py38h25d0782_0
- scipy=1.6.2=py38h14eb087_0
- seaborn=0.12.2=py38haa95532_0
- setuptools=75.1.0=py38haa95532_0
- sip=6.7.12=py38hd77b12b_0
- six=1.15.0=pyhd3eb1b0_0
- sqlalchemy=2.0.32=py38h4cb3324_0
- sqlite=3.45.3=h2bbff1b_0
- tbb=2021.7.0=h91493d7_0
- threadpoolctl=3.5.0=py38h9909e9c_0
- tk=8.6.13=h5226925_1
- tomli=2.0.1=py38haa95532_0
- tornado=6.4.1=py38h827c3e9_0
- tqdm=4.56.0=pyhd3eb1b0_0
- typing-extensions=4.12.2=hd8ed1ab_0
- typing_extensions=4.12.2=pyha770c72_0
- ucrt=10.0.22621.0=h57928b3_1
- unicodedata2=15.1.0=py38h91455d4_0
- url-normalize=1.4.3=py38haa95532_0
- urllib3=2.2.3=py38haa95532_0
- vc=14.40=h2eaa2aa_1
- vc14_runtime=14.40.33810=hcc2c482_22
- vs2015_runtime=14.40.33810=h3bf8584_22
- wcwidth=0.2.5=pyhd3eb1b0_0
- wheel=0.44.0=py38haa95532_0
- win_inet_pton=1.1.0=py38haa95532_0
- xgboost=2.0.3=py38haa95532_1
- xorg-libxau=1.0.11=h0e40799_1
- xorg-libxdmcp=1.1.5=h0e40799_0
- xz=5.2.6=h8d14728_0
- yaml=0.2.5=he774522_0
- zipp=3.20.2=pyhd8ed1ab_0
- zlib=1.3.1=h2466b09_2
- zope=1.0=py38_1
- zope.event=5.0=py38haa95532_0
- zope.interface=5.4.0=py38h2bbff1b_0
- zstd=1.5.6=h0ea2cb4_0