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env.yml
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name: mc
channels:
- lich
- conda-forge
- defaults
dependencies:
- blinker=1.8.2=pyhd8ed1ab_0
- boost=1.74.0=py310h509978a_5
- boost-cpp=1.74.0=h8b082ac_8
- brotli-bin=1.1.0=h0dc2134_1
- brotli-python=1.1.0=py310h9e9d8ca_1
- bzip2=1.0.8=h10d778d_5
- ca-certificates=2024.2.2=h8857fd0_0
- cairo=1.16.0=h691a603_2
- certifi=2024.2.2=pyhd8ed1ab_0
- charset-normalizer=3.3.2=pyhd8ed1ab_0
- cycler=0.12.1=pyhd8ed1ab_0
- dash=2.17.0=pyhd8ed1ab_0
- flask=3.0.3=pyhd8ed1ab_0
- fontconfig=2.13.94=h10f422b_0
- freetype=2.10.4=h3f81eb7_2
- glib=2.80.2=h0f68cf7_0
- glib-tools=2.80.2=hc27840c_0
- icu=70.1=h96cf925_0
- idna=3.7=pyhd8ed1ab_0
- importlib-metadata=7.1.0=pyha770c72_0
- itsdangerous=2.2.0=pyhd8ed1ab_0
- jinja2=3.1.4=pyhd8ed1ab_0
- jpeg=9e=hb7f2c08_3
- lcms2=2.12=hf1fd2bf_0
- lerc=3.0=he9d5cce_0
- libblas=3.9.0=22_osx64_openblas
- libbrotlicommon=1.1.0=h0dc2134_1
- libbrotlidec=1.1.0=h0dc2134_1
- libbrotlienc=1.1.0=h0dc2134_1
- libcblas=3.9.0=22_osx64_openblas
- libcxx=17.0.6=h88467a6_0
- libdeflate=1.17=hb664fd8_1
- libffi=3.4.2=h0d85af4_5
- libgfortran=5.0.0=13_2_0_h97931a8_3
- libgfortran5=13.2.0=h2873a65_3
- libglib=2.80.2=h0f68cf7_0
- libiconv=1.17=hd75f5a5_2
- libintl=0.22.5=h5ff76d1_2
- libintl-devel=0.22.5=h5ff76d1_2
- liblapack=3.9.0=22_osx64_openblas
- libopenblas=0.3.27=openmp_hfef2a42_0
- libpng=1.6.43=h92b6c6a_0
- libsqlite=3.45.3=h92b6c6a_0
- libtiff=4.5.1=hcec6c5f_0
- libwebp-base=1.4.0=h10d778d_0
- libxml2=2.9.14=hea49891_4
- libzlib=1.2.13=h8a1eda9_5
- llvm-openmp=18.1.5=h39e0ece_0
- matplotlib-base=3.5.3=py310h6438751_0
- munkres=1.1.4=pyh9f0ad1d_0
- ncurses=6.5=h5846eda_0
- nest-asyncio=1.6.0=pyhd8ed1ab_0
- openbabel=3.1.1=py310he467037_4
- openjpeg=2.4.0=h66ea3da_0
- openssl=3.3.0=h87427d6_2
- packaging=24.0=pyhd8ed1ab_0
- pcre2=10.43=h0ad2156_0
- pip=24.0=pyhd8ed1ab_0
- pixman=0.43.4=h73e2aa4_0
- plotly=5.22.0=pyhd8ed1ab_0
- pyparsing=3.1.2=pyhd8ed1ab_0
- python=3.10.14=h00d2728_0_cpython
- python-tzdata=2024.1=pyhd8ed1ab_0
- python_abi=3.10=4_cp310
- rdkit=2022.03.5=py310h9a91a65_0
- readline=8.2=h9e318b2_1
- requests=2.32.2=pyhd8ed1ab_0
- retrying=1.3.3=py_2
- setuptools=70.0.0=pyhd8ed1ab_0
- six=1.16.0=pyh6c4a22f_0
- syba=1.0.2.alpha=py_0
- tenacity=8.3.0=pyhd8ed1ab_0
- tk=8.6.13=h1abcd95_1
- typing-extensions=4.11.0=hd8ed1ab_0
- typing_extensions=4.11.0=pyha770c72_0
- urllib3=2.2.1=pyhd8ed1ab_0
- werkzeug=3.0.3=pyhd8ed1ab_0
- wheel=0.43.0=pyhd8ed1ab_1
- xz=5.4.6=h6c40b1e_1
- zipp=3.17.0=pyhd8ed1ab_0
- zlib=1.2.13=h8a1eda9_5
- zstd=1.5.6=h915ae27_0
- pip:
- brotli==1.1.0
- click==8.1.3
- dash-bootstrap-components==1.6.0
- dash-core-components==2.0.0
- dash-dangerously-set-inner-html==0.0.2
- dash-html-components==2.0.0
- dash-table==5.0.0
- et-xmlfile==1.1.0
- fonttools==4.51.0
- greenlet==3.0.3
- kiwisolver==1.4.5
- markupsafe==2.1.5
- matplotlib==3.5.3
- molcomplex==1.1.0
- mordred==1.2.0
- networkx==2.8.8
- numpy==1.26.4
- openpyxl==3.1.2
- pandas==2.2.2
- pillow==10.3.0
- pycairo==1.23.0
- pysocks==1.7.1
- python-dateutil==2.9.0.post0
- pytz==2024.1
- pyyaml==6.0.2rc1
- reportlab==3.6.13
- scipy==1.13.1
- sqlalchemy==2.0.30
- tzdata==2024.1
- unicodedata2==15.1.0