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environment.yml
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environment.yml
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name: psc
channels:
- anaconda
- conda-forge
- defaults
dependencies:
- _libgcc_mutex=0.1=conda_forge
- _openmp_mutex=4.5=2_gnu
- alsa-lib=1.2.8=h166bdaf_0
- asttokens=2.4.1=pyhd8ed1ab_0
- attr=2.5.1=h166bdaf_1
- backcall=0.2.0=pyh9f0ad1d_0
- backports=1.0=pyhd8ed1ab_3
- backports.functools_lru_cache=1.6.5=pyhd8ed1ab_0
- brotli=1.1.0=hd590300_1
- brotli-bin=1.1.0=hd590300_1
- bzip2=1.0.8=hd590300_5
- ca-certificates=2023.12.12=h06a4308_0
- cairo=1.16.0=hbbf8b49_1016
- certifi=2023.11.17=pyhd8ed1ab_0
- colorama=0.4.6=pyhd8ed1ab_0
- contourpy=1.2.0=py310hd41b1e2_0
- cycler=0.12.1=pyhd8ed1ab_0
- dbus=1.13.6=h5008d03_3
- decorator=5.1.1=pyhd8ed1ab_0
- et_xmlfile=1.1.0=pyhd8ed1ab_0
- exceptiongroup=1.0.4=py310h06a4308_0
- executing=2.0.1=pyhd8ed1ab_0
- expat=2.5.0=hcb278e6_1
- 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=2.14.2=h14ed4e7_0
- fonts-conda-ecosystem=1=0
- fonts-conda-forge=1=0
- fonttools=4.47.0=py310h2372a71_0
- freetype=2.12.1=h267a509_2
- freetype-py=2.3.0=pyhd8ed1ab_0
- gettext=0.21.1=h27087fc_0
- glib=2.78.1=hfc55251_0
- glib-tools=2.78.1=hfc55251_0
- graphite2=1.3.13=h58526e2_1001
- gst-plugins-base=1.22.3=h938bd60_1
- gstreamer=1.22.3=h977cf35_1
- harfbuzz=7.3.0=hdb3a94d_0
- icu=72.1=hcb278e6_0
- importlib-metadata=6.8.0=pyha770c72_0
- importlib_metadata=6.8.0=hd8ed1ab_0
- ipython=8.15.0=py310h06a4308_0
- jedi=0.19.1=pyhd8ed1ab_0
- joblib=1.3.2=pyhd8ed1ab_0
- jupyter_client=8.6.0=pyhd8ed1ab_0
- jupyter_core=5.5.0=py310hff52083_0
- keyutils=1.6.1=h166bdaf_0
- kiwisolver=1.4.5=py310hd41b1e2_1
- krb5=1.20.1=h81ceb04_0
- lame=3.100=h166bdaf_1003
- lcms2=2.15=h7f713cb_2
- ld_impl_linux-64=2.40=h41732ed_0
- lerc=4.0.0=h27087fc_0
- libblas=3.9.0=19_linux64_openblas
- libboost=1.82.0=h1bacd13_2
- libboost-python=1.82.0=py310hcb52e73_6
- libbrotlicommon=1.1.0=hd590300_1
- libbrotlidec=1.1.0=hd590300_1
- libbrotlienc=1.1.0=hd590300_1
- libcap=2.69=h0f662aa_0
- libcblas=3.9.0=19_linux64_openblas
- libclang=16.0.6=default_h1cdf331_2
- libclang13=16.0.6=default_h4d60ac6_2
- libcups=2.3.3=h36d4200_3
- libdeflate=1.19=hd590300_0
- libedit=3.1.20191231=he28a2e2_2
- libevent=2.1.12=hf998b51_1
- libexpat=2.5.0=hcb278e6_1
- libffi=3.4.2=h7f98852_5
- libflac=1.4.3=h59595ed_0
- libgcc-ng=13.2.0=h807b86a_3
- libgcrypt=1.10.2=hd590300_0
- libgfortran-ng=13.2.0=h69a702a_3
- libgfortran5=13.2.0=ha4646dd_3
- libglib=2.78.1=hebfc3b9_0
- libgomp=13.2.0=h807b86a_3
- libgpg-error=1.47=h71f35ed_0
- libhwloc=2.9.3=default_h554bfaf_1009
- libiconv=1.17=h166bdaf_0
- libjpeg-turbo=2.1.5.1=hd590300_1
- liblapack=3.9.0=19_linux64_openblas
- libllvm14=14.0.6=hcd5def8_4
- libllvm16=16.0.6=h5cf9203_2
- libnsl=2.0.1=hd590300_0
- libogg=1.3.4=h7f98852_1
- libopenblas=0.3.24=pthreads_h413a1c8_0
- libopus=1.3.1=h7f98852_1
- libpng=1.6.39=h753d276_0
- libpq=15.3=hbcd7760_1
- libsndfile=1.2.2=hc60ed4a_1
- libsodium=1.0.18=h36c2ea0_1
- libsqlite=3.44.0=h2797004_0
- libstdcxx-ng=13.2.0=h7e041cc_3
- libsystemd0=254=h3516f8a_0
- libtiff=4.6.0=h29866fb_1
- libuuid=2.38.1=h0b41bf4_0
- libvorbis=1.3.7=h9c3ff4c_0
- libwebp-base=1.3.2=hd590300_0
- libxcb=1.15=h0b41bf4_0
- libxkbcommon=1.6.0=h5d7e998_0
- libxml2=2.11.5=h0d562d8_0
- libzlib=1.2.13=hd590300_5
- llvmlite=0.41.1=py310h1b8f574_0
- lz4-c=1.9.4=hcb278e6_0
- matplotlib-base=3.8.1=py310h62c0568_0
- matplotlib-inline=0.1.6=pyhd8ed1ab_0
- mpg123=1.32.3=h59595ed_0
- munkres=1.1.4=pyh9f0ad1d_0
- mysql-common=8.0.33=hf1915f5_6
- mysql-libs=8.0.33=hca2cd23_6
- ncurses=6.4=h59595ed_2
- nest-asyncio=1.5.8=pyhd8ed1ab_0
- nspr=4.35=h27087fc_0
- nss=3.94=h1d7d5a4_0
- numba=0.58.1=py310h7dc5dd1_0
- numpy=1.26.3=py310hb13e2d6_0
- openjpeg=2.5.0=h488ebb8_3
- openpyxl=3.1.2=py310h2372a71_1
- openssl=3.1.4=hd590300_0
- packaging=23.2=pyhd8ed1ab_0
- parso=0.8.3=pyhd8ed1ab_0
- patsy=0.5.3=pyhd8ed1ab_0
- pcre2=10.40=hc3806b6_0
- pexpect=4.8.0=pyh1a96a4e_2
- pickleshare=0.7.5=py_1003
- pillow=10.0.1=py310h29da1c1_1
- pip=23.3.1=pyhd8ed1ab_0
- pixman=0.42.2=h59595ed_0
- platformdirs=4.0.0=pyhd8ed1ab_0
- ply=3.11=py_1
- prompt-toolkit=3.0.40=pyha770c72_0
- pthread-stubs=0.4=h36c2ea0_1001
- ptyprocess=0.7.0=pyhd3deb0d_0
- pulseaudio-client=16.1=hb77b528_5
- pure_eval=0.2.2=pyhd8ed1ab_0
- pycairo=1.25.0=py310hda9f760_1
- pygments=2.16.1=pyhd8ed1ab_0
- pynndescent=0.5.10=pyh1a96a4e_0
- pyparsing=3.1.1=pyhd8ed1ab_0
- pyqt=5.15.9=py310h04931ad_5
- pyqt5-sip=12.12.2=py310hc6cd4ac_5
- python=3.10.13=hd12c33a_0_cpython
- python-dateutil=2.8.2=pyhd8ed1ab_0
- python-tzdata=2023.3=pyhd8ed1ab_0
- python_abi=3.10=4_cp310
- pytz=2023.3.post1=pyhd8ed1ab_0
- pyzmq=25.1.2=py310h795f18f_0
- qt-main=5.15.8=h01ceb2d_12
- readline=8.2=h8228510_1
- rlpycairo=0.2.0=pyhd8ed1ab_0
- scikit-learn=1.3.2=py310h1fdf081_2
- scipy=1.11.4=py310hb13e2d6_0
- seaborn=0.13.0=hd8ed1ab_0
- seaborn-base=0.13.0=pyhd8ed1ab_0
- setuptools=68.2.2=pyhd8ed1ab_0
- sip=6.7.12=py310hc6cd4ac_0
- six=1.16.0=pyh6c4a22f_0
- stack_data=0.6.2=pyhd8ed1ab_0
- statsmodels=0.14.0=py310h1f7b6fc_3
- tbb=2021.10.0=h00ab1b0_2
- threadpoolctl=3.2.0=pyha21a80b_0
- tk=8.6.13=noxft_h4845f30_101
- toml=0.10.2=pyhd8ed1ab_0
- tomli=2.0.1=pyhd8ed1ab_0
- tornado=6.3.3=py310h2372a71_1
- tqdm=4.66.1=pyhd8ed1ab_0
- traitlets=5.13.0=pyhd8ed1ab_0
- typing-extensions=4.8.0=hd8ed1ab_0
- typing_extensions=4.8.0=pyha770c72_0
- tzdata=2023c=h71feb2d_0
- umap-learn=0.5.5=py310hff52083_0
- unicodedata2=15.1.0=py310h2372a71_0
- wcwidth=0.2.9=pyhd8ed1ab_0
- wheel=0.41.3=pyhd8ed1ab_0
- xcb-util=0.4.0=hd590300_1
- xcb-util-image=0.4.0=h8ee46fc_1
- xcb-util-keysyms=0.4.0=h8ee46fc_1
- xcb-util-renderutil=0.3.9=hd590300_1
- xcb-util-wm=0.4.1=h8ee46fc_1
- xkeyboard-config=2.40=hd590300_0
- xlrd=2.0.1=pyhd8ed1ab_3
- xorg-kbproto=1.0.7=h7f98852_1002
- xorg-libice=1.1.1=hd590300_0
- xorg-libsm=1.2.4=h7391055_0
- xorg-libx11=1.8.7=h8ee46fc_0
- xorg-libxau=1.0.11=hd590300_0
- xorg-libxdmcp=1.1.3=h7f98852_0
- xorg-libxext=1.3.4=h0b41bf4_2
- xorg-libxrender=0.9.11=hd590300_0
- xorg-renderproto=0.11.1=h7f98852_1002
- xorg-xextproto=7.3.0=h0b41bf4_1003
- xorg-xf86vidmodeproto=2.3.1=h7f98852_1002
- xorg-xproto=7.0.31=h7f98852_1007
- xz=5.2.6=h166bdaf_0
- zeromq=4.3.5=h59595ed_0
- zipp=3.17.0=pyhd8ed1ab_0
- zlib=1.2.13=hd590300_5
- zstd=1.5.5=hfc55251_0
- pip:
- click==8.1.7
- pandas==1.5.3
- rdkit==2023.9.4
- regex==2021.11.10
prefix: /home/user/miniconda3/envs/psc