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environment.yml
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name: reinvent_2
channels:
- rdkit
- bokeh
- conda-forge
- defaults
dependencies:
- appnope=0.1.3=pyhd8ed1ab_0
- backports=1.0=pyhd8ed1ab_3
- backports.functools_lru_cache=1.6.4=pyhd8ed1ab_0
- bokeh=2.3.3=py_0
- bzip2=1.0.8=h0d85af4_4
- ca-certificates=2023.5.7=h8857fd0_0
- cairo=1.16.0=h0ab9d94_1001
- certifi=2016.9.26=py36_0
- colorama=0.4.4=pyh9f0ad1d_0
- decorator=5.1.1=pyhd8ed1ab_0
- dftd4=3.5.0=h5bf119a_0
- entrypoints=0.4=pyhd8ed1ab_0
- fontconfig=2.13.94=h10f422b_0
- freetype=2.12.1=h3f81eb7_1
- gettext=0.21.1=h8a4c099_0
- glib=2.76.3=h7d26f99_0
- glib-tools=2.76.3=h7d26f99_0
- icu=58.2=h0a44026_1000
- ipykernel=5.5.5=py36h495a4c6_0
- ipython=5.8.0=py36_1
- ipython_genutils=0.2.0=py_1
- jinja2=2.11.3=pyhd8ed1ab_2
- joblib=1.2.0=pyhd8ed1ab_0
- jpeg=9e=hb7f2c08_3
- jupyter_client=5.3.4=py36_0
- jupyter_core=4.5.0=py_0
- lcms2=2.12=hf1fd2bf_0
- libblas=3.9.0=17_osx64_openblas
- libboost=1.73.0=hd4c2dcd_11
- libcblas=3.9.0=17_osx64_openblas
- libcxx=16.0.5=hd57cbcb_0
- libffi=3.4.2=h0d85af4_5
- libgfortran=5.0.0=11_3_0_h97931a8_31
- libgfortran5=12.2.0=he409387_31
- libglib=2.76.3=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
- libsodium=1.0.18=hbcb3906_1
- libsqlite=3.42.0=h58db7d2_0
- libtiff=4.2.0=h87d7836_0
- libwebp-base=1.3.0=hb7f2c08_0
- libxml2=2.9.14=hbf8cd5e_0
- libzlib=1.2.13=h8a1eda9_5
- llvm-openmp=16.0.5=hff08bdf_0
- lz4-c=1.9.3=he49afe7_1
- markupsafe=1.1.1=py36hfa26744_3
- mctc-lib=0.3.1=h5f0aba5_0
- ncurses=6.4=hf0c8a7f_0
- numpy=1.19.5=py36h08b5fde_2
- olefile=0.46=pyh9f0ad1d_1
- openbabel=3.1.1=py36h432bf48_2
- openssl=1.1.1u=h8a1eda9_0
- packaging=21.3=pyhd8ed1ab_0
- pandas=1.1.5=py36h2be6da3_0
- pcre2=10.40=h1c4e4bc_0
- pexpect=4.8.0=pyh1a96a4e_2
- pickleshare=0.7.5=py_1003
- pillow=7.2.0=py36h79df3f4_2
- pip=20.0.2=py36_1
- pixman=0.38.0=h01d97ff_1003
- prompt_toolkit=1.0.15=py_1
- ptyprocess=0.7.0=pyhd3deb0d_0
- py-boost=1.73.0=py36hb2f4e1b_11
- pygments=2.12.0=pyhd8ed1ab_0
- pyparsing=3.1.0=pyhd8ed1ab_0
- python=3.6.15=haf480d7_0_cpython
- python-dateutil=2.8.2=pyhd8ed1ab_0
- python_abi=3.6=2_cp36m
- pytz=2023.3=pyhd8ed1ab_0
- pyzmq=19.0.2=py36hd529914_2
- rdkit=2020.09.1.0=py36h81f2deb_1
- readline=8.2=h9e318b2_1
- scikit-learn=0.24.2=py36hb2f4e1b_0
- scipy=1.5.3=py36h4f136de_1
- setuptools=49.6.0=py36h79c6626_3
- simple-dftd3=0.7.0=h32c7c3c_2
- simplegeneric=0.8.1=py_1
- six=1.16.0=pyh6c4a22f_0
- sqlite=3.42.0=h2b0dec6_0
- tblite=0.3.0=h5bf119a_0
- threadpoolctl=3.1.0=pyh8a188c0_0
- tk=8.6.12=h5dbffcc_0
- toml-f=0.3.1=hcf7530e_0
- tornado=6.1=py36hfa26744_1
- tqdm=4.65.0=pyhd8ed1ab_0
- traitlets=4.3.3=pyhd8ed1ab_2
- typing_extensions=3.10.0.2=pyha770c72_0
- wcwidth=0.2.6=pyhd8ed1ab_0
- wheel=0.36.2=pyhd3deb0d_0
- xtb=6.6.0=h5bf119a_0
- xz=5.2.6=h775f41a_0
- yaml=0.2.5=h0d85af4_2
- zeromq=4.3.4=he49afe7_1
- zlib=1.2.13=h8a1eda9_5
- zstd=1.4.9=h582d3a0_0
- pip:
- pickle5==0.0.12
- pyyaml==6.0
prefix: /Users/ishaniganguly/miniconda3/envs/reinvent_2