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environment.yml
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environment.yml
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name: drug-pred-chal-env
channels:
- bioconda
- defaults
- conda-forge
dependencies:
- boost=1.74.0=py310h509978a_5
- boost-cpp=1.74.0=hdbf7018_7
- brotli=1.0.9=hb7f2c08_9
- brotli-bin=1.0.9=hb7f2c08_9
- bzip2=1.0.8=h0d85af4_4
- ca-certificates=2023.5.7=h8857fd0_0
- cairo=1.16.0=he01c77b_1009
- certifi=2023.5.7=pyhd8ed1ab_0
- cycler=0.11.0=pyhd8ed1ab_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=hab24e00_0
- fontconfig=2.13.94=h10f422b_0
- fonts-conda-ecosystem=1=0
- fonts-conda-forge=1=0
- fonttools=4.40.0=py310h6729b98_0
- freetype=2.10.4=h3f81eb7_2
- gettext=0.21.1=h8a4c099_0
- giflib=5.2.1=hb7f2c08_3
- greenlet=2.0.2=py310h9e9d8ca_1
- icu=69.1=he49afe7_0
- jpeg=9e=hb7f2c08_3
- kiwisolver=1.4.4=py310ha23aa8a_1
- lcms2=2.15=h29502cd_0
- lerc=4.0.0=hb486fe8_0
- libblas=3.9.0=17_osx64_openblas
- libbrotlicommon=1.0.9=hb7f2c08_9
- libbrotlidec=1.0.9=hb7f2c08_9
- libbrotlienc=1.0.9=hb7f2c08_9
- libcblas=3.9.0=17_osx64_openblas
- libcxx=16.0.6=hd57cbcb_0
- libdeflate=1.17=hac1461d_0
- libffi=3.4.2=h0d85af4_5
- libgfortran=5.0.0=11_3_0_h97931a8_31
- libgfortran5=12.2.0=he409387_31
- libglib=2.76.4=hc62aa5d_0
- libiconv=1.17=hac89ed1_0
- liblapack=3.9.0=17_osx64_openblas
- libopenblas=0.3.23=openmp_h429af6e_0
- libpng=1.6.39=ha978bb4_0
- libsqlite=3.42.0=h58db7d2_0
- libtiff=4.5.0=hee9004a_2
- libwebp=1.2.4=h70a068d_1
- libwebp-base=1.2.4=h6c40b1e_1
- libxml2=2.9.14=h1faee8b_4
- libzlib=1.2.13=h8a1eda9_5
- llvm-openmp=16.0.6=hff08bdf_0
- matplotlib-base=3.5.3=py310h6438751_0
- munkres=1.1.4=pyh9f0ad1d_0
- ncurses=6.4=hf0c8a7f_0
- numpy=1.25.1=py310h7451ae0_0
- openssl=3.1.1=h8a1eda9_1
- packaging=23.1=pyhd8ed1ab_0
- pandas=2.0.3=py310h5e4fcda_1
- pcre2=10.40=h1c4e4bc_0
- pillow=9.4.0=py310hcec6c5f_0
- pip=23.1.2=pyhd8ed1ab_0
- pixman=0.40.0=hbcb3906_0
- pycairo=1.24.0=py310h0b97775_0
- pyparsing=3.1.0=pyhd8ed1ab_0
- python=3.10.12=had23ca6_0_cpython
- python-dateutil=2.8.2=pyhd8ed1ab_0
- python-tzdata=2023.3=pyhd8ed1ab_0
- python_abi=3.10=3_cp310
- pytz=2023.3=pyhd8ed1ab_0
- rdkit=2022.03.5=py310h9a91a65_0
- readline=8.2=h9e318b2_1
- reportlab=3.6.12=py310h6c40b1e_0
- setuptools=68.0.0=pyhd8ed1ab_0
- six=1.16.0=pyh6c4a22f_0
- sqlalchemy=2.0.18=py310h6729b98_0
- tk=8.6.12=h5dbffcc_0
- typing-extensions=4.7.1=hd8ed1ab_0
- typing_extensions=4.7.1=pyha770c72_0
- tzdata=2023c=h71feb2d_0
- unicodedata2=15.0.0=py310h90acd4f_0
- wheel=0.40.0=pyhd8ed1ab_0
- xz=5.2.6=h775f41a_0
- zlib=1.2.13=h8a1eda9_5
- zstd=1.5.2=h829000d_7
- pip:
- attrs==21.4.0
- charset-normalizer==3.2.0
- chembl-webresource-client==0.10.8
- easydict==1.10
- idna==3.4
- itsdangerous==2.1.2
- joblib==1.3.1
- pyyaml==6.0
- requests==2.31.0
- requests-cache==0.7.5
- scikit-learn==1.3.0
- scipy==1.11.1
- threadpoolctl==3.1.0
- tqdm==4.65.0
- url-normalize==1.4.3
- urllib3==2.0.3
prefix: /Users/ahmet/opt/anaconda3/envs/drug-pred-chal-env