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CCAD.yml
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name: CCAD_platform
channels:
- conda-forge
- defaults
dependencies:
- _libgcc_mutex=0.1=conda_forge
- _openmp_mutex=4.5=2_gnu
- anyio=4.3.0=pyhd8ed1ab_0
- argon2-cffi=23.1.0=pyhd8ed1ab_0
- argon2-cffi-bindings=21.2.0=py310h2372a71_4
- arrow=1.3.0=pyhd8ed1ab_0
- asttokens=2.4.1=pyhd8ed1ab_0
- async-lru=2.0.4=pyhd8ed1ab_0
- attrs=23.2.0=pyh71513ae_0
- babel=2.14.0=pyhd8ed1ab_0
- beautifulsoup4=4.12.3=pyha770c72_0
- bleach=6.1.0=pyhd8ed1ab_0
- bokeh=3.4.1=pyhd8ed1ab_0
- brotli=1.1.0=hd590300_1
- brotli-bin=1.1.0=hd590300_1
- brotli-python=1.1.0=py310hc6cd4ac_1
- bzip2=1.0.8=hd590300_5
- ca-certificates=2024.2.2=hbcca054_0
- cached-property=1.5.2=hd8ed1ab_1
- cached_property=1.5.2=pyha770c72_1
- cairo=1.18.0=h3faef2a_0
- certifi=2024.2.2=pyhd8ed1ab_0
- cffi=1.16.0=py310h2fee648_0
- chardet=5.2.0=py310hff52083_1
- charset-normalizer=3.3.2=pyhd8ed1ab_0
- chemicalite=2024.05.1=hc98c98a_1
- chemplot=1.2.0=pyh6c4a22f_0
- colorama=0.4.6=pyhd8ed1ab_0
- comm=0.2.2=pyhd8ed1ab_0
- contourpy=1.2.1=py310hd41b1e2_0
- cycler=0.12.1=pyhd8ed1ab_0
- debugpy=1.8.1=py310hc6cd4ac_0
- decorator=5.1.1=pyhd8ed1ab_0
- defusedxml=0.7.1=pyhd8ed1ab_0
- entrypoints=0.4=pyhd8ed1ab_0
- exceptiongroup=1.2.0=pyhd8ed1ab_2
- executing=2.0.1=pyhd8ed1ab_0
- expat=2.6.2=h59595ed_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_2
- fontconfig=2.14.2=h14ed4e7_0
- fonts-conda-ecosystem=1=0
- fonts-conda-forge=1=0
- fonttools=4.51.0=py310h2372a71_0
- fqdn=1.5.1=pyhd8ed1ab_0
- freetype=2.12.1=h267a509_2
- freetype-py=2.3.0=pyhd8ed1ab_0
- greenlet=3.0.3=py310hc6cd4ac_0
- h11=0.14.0=pyhd8ed1ab_0
- h2=4.1.0=pyhd8ed1ab_0
- hpack=4.0.0=pyh9f0ad1d_0
- httpcore=1.0.5=pyhd8ed1ab_0
- httpx=0.27.0=pyhd8ed1ab_0
- hyperframe=6.0.1=pyhd8ed1ab_0
- icu=73.2=h59595ed_0
- idna=3.7=pyhd8ed1ab_0
- importlib-metadata=7.1.0=pyha770c72_0
- importlib_metadata=7.1.0=hd8ed1ab_0
- importlib_resources=6.4.0=pyhd8ed1ab_0
- ipykernel=6.29.3=pyhd33586a_0
- ipython=8.24.0=pyh707e725_0
- isoduration=20.11.0=pyhd8ed1ab_0
- jedi=0.19.1=pyhd8ed1ab_0
- jinja2=3.1.4=pyhd8ed1ab_0
- joblib=1.4.2=pyhd8ed1ab_0
- json5=0.9.25=pyhd8ed1ab_0
- jsonpointer=2.4=py310hff52083_3
- jsonschema=4.22.0=pyhd8ed1ab_0
- jsonschema-specifications=2023.12.1=pyhd8ed1ab_0
- jsonschema-with-format-nongpl=4.22.0=pyhd8ed1ab_0
- jupyter-lsp=2.2.5=pyhd8ed1ab_0
- jupyter_client=8.6.1=pyhd8ed1ab_0
- jupyter_core=5.7.2=py310hff52083_0
- jupyter_events=0.10.0=pyhd8ed1ab_0
- jupyter_server=2.14.0=pyhd8ed1ab_0
- jupyter_server_terminals=0.5.3=pyhd8ed1ab_0
- jupyterlab=4.2.0=pyhd8ed1ab_1
- jupyterlab_pygments=0.3.0=pyhd8ed1ab_1
- jupyterlab_server=2.27.1=pyhd8ed1ab_0
- keyutils=1.6.1=h166bdaf_0
- kiwisolver=1.4.5=py310hd41b1e2_1
- krb5=1.21.2=h659d440_0
- lcms2=2.16=hb7c19ff_0
- ld_impl_linux-64=2.40=h55db66e_0
- lerc=4.0.0=h27087fc_0
- libblas=3.9.0=22_linux64_openblas
- libboost=1.84.0=h8013b2b_2
- libboost-python=1.84.0=py310hcb52e73_2
- libbrotlicommon=1.1.0=hd590300_1
- libbrotlidec=1.1.0=hd590300_1
- libbrotlienc=1.1.0=hd590300_1
- libcblas=3.9.0=22_linux64_openblas
- libdeflate=1.20=hd590300_0
- libedit=3.1.20191231=he28a2e2_2
- libexpat=2.6.2=h59595ed_0
- libffi=3.4.2=h7f98852_5
- libgcc-ng=13.2.0=h77fa898_7
- libgfortran-ng=13.2.0=h69a702a_7
- libgfortran5=13.2.0=hca663fb_7
- libglib=2.80.2=hf974151_0
- libgomp=13.2.0=h77fa898_7
- libhwloc=2.10.0=default_h2fb2949_1000
- libiconv=1.17=hd590300_2
- libjpeg-turbo=3.0.0=hd590300_1
- liblapack=3.9.0=22_linux64_openblas
- libllvm14=14.0.6=hcd5def8_4
- libnsl=2.0.1=hd590300_0
- libopenblas=0.3.27=pthreads_h413a1c8_0
- libpng=1.6.43=h2797004_0
- libsodium=1.0.18=h36c2ea0_1
- libsqlite=3.45.3=h2797004_0
- libstdcxx-ng=13.2.0=hc0a3c3a_7
- libtiff=4.6.0=h1dd3fc0_3
- libuuid=2.38.1=h0b41bf4_0
- libwebp-base=1.4.0=hd590300_0
- libxcb=1.15=h0b41bf4_0
- libxcrypt=4.4.36=hd590300_1
- libxml2=2.12.6=h232c23b_2
- libzlib=1.2.13=hd590300_5
- llvmlite=0.42.0=py310h1b8f574_1
- markupsafe=2.1.5=py310h2372a71_0
- matplotlib-base=3.8.4=py310h62c0568_0
- matplotlib-inline=0.1.7=pyhd8ed1ab_0
- mistune=3.0.2=pyhd8ed1ab_0
- mordred=1.2.0=py_1
- munkres=1.1.4=pyh9f0ad1d_0
- nbclient=0.10.0=pyhd8ed1ab_0
- nbconvert-core=7.16.4=pyhd8ed1ab_0
- nbformat=5.10.4=pyhd8ed1ab_0
- ncurses=6.5=h59595ed_0
- nest-asyncio=1.6.0=pyhd8ed1ab_0
- networkx=3.3=pyhd8ed1ab_1
- notebook-shim=0.2.4=pyhd8ed1ab_0
- numba=0.59.1=py310h7dc5dd1_0
- numpy=1.26.4=py310hb13e2d6_0
- openbabel=3.1.1=py310hbff9852_9
- openjpeg=2.5.2=h488ebb8_0
- openssl=3.3.0=hd590300_0
- overrides=7.7.0=pyhd8ed1ab_0
- packaging=24.0=pyhd8ed1ab_0
- pandas=2.2.2=py310hcc13569_0
- pandocfilters=1.5.0=pyhd8ed1ab_0
- parso=0.8.4=pyhd8ed1ab_0
- patsy=0.5.6=pyhd8ed1ab_0
- pcre2=10.43=hcad00b1_0
- pexpect=4.9.0=pyhd8ed1ab_0
- pickleshare=0.7.5=py_1003
- pillow=10.3.0=py310hf73ecf8_0
- pip=24.0=pyhd8ed1ab_0
- pixman=0.43.2=h59595ed_0
- pkgutil-resolve-name=1.3.10=pyhd8ed1ab_1
- platformdirs=4.2.1=pyhd8ed1ab_0
- prometheus_client=0.20.0=pyhd8ed1ab_0
- prompt-toolkit=3.0.42=pyha770c72_0
- psutil=5.9.8=py310h2372a71_0
- pthread-stubs=0.4=h36c2ea0_1001
- ptyprocess=0.7.0=pyhd3deb0d_0
- pure_eval=0.2.2=pyhd8ed1ab_0
- pycairo=1.26.0=py310hda9f760_0
- pycparser=2.22=pyhd8ed1ab_0
- pygments=2.18.0=pyhd8ed1ab_0
- pynndescent=0.5.12=pyhca7485f_0
- pyparsing=3.1.2=pyhd8ed1ab_0
- pysocks=1.7.1=pyha2e5f31_6
- python=3.10.14=hd12c33a_0_cpython
- python-fastjsonschema=2.19.1=pyhd8ed1ab_0
- python-json-logger=2.0.7=pyhd8ed1ab_0
- python-tzdata=2024.1=pyhd8ed1ab_0
- python_abi=3.10=4_cp310
- pytz=2024.1=pyhd8ed1ab_0
- pyyaml=6.0.1=py310h2372a71_1
- pyzmq=26.0.3=py310h6883aea_0
- readline=8.2=h8228510_1
- referencing=0.35.1=pyhd8ed1ab_0
- reportlab=4.1.0=py310h2372a71_0
- requests=2.31.0=pyhd8ed1ab_0
- rfc3339-validator=0.1.4=pyhd8ed1ab_0
- rfc3986-validator=0.1.1=pyh9f0ad1d_0
- rlpycairo=0.2.0=pyhd8ed1ab_0
- rpds-py=0.18.1=py310he421c4c_0
- scikit-learn=1.4.2=py310h1fdf081_0
- scipy=1.13.0=py310h93e2701_1
- seaborn=0.13.2=hd8ed1ab_2
- seaborn-base=0.13.2=pyhd8ed1ab_2
- send2trash=1.8.3=pyh0d859eb_0
- setuptools=69.5.1=pyhd8ed1ab_0
- six=1.16.0=pyh6c4a22f_0
- sniffio=1.3.1=pyhd8ed1ab_0
- soupsieve=2.5=pyhd8ed1ab_1
- sqlalchemy=2.0.30=py310hc51659f_0
- sqlite=3.45.3=h2c6b66d_0
- stack_data=0.6.2=pyhd8ed1ab_0
- statsmodels=0.14.1=py310h1f7b6fc_0
- tbb=2021.12.0=h00ab1b0_0
- terminado=0.18.1=pyh0d859eb_0
- threadpoolctl=3.5.0=pyhc1e730c_0
- tinycss2=1.3.0=pyhd8ed1ab_0
- tk=8.6.13=noxft_h4845f30_101
- tomli=2.0.1=pyhd8ed1ab_0
- tornado=6.4=py310h2372a71_0
- tqdm=4.66.4=pyhd8ed1ab_0
- traitlets=5.14.3=pyhd8ed1ab_0
- types-python-dateutil=2.9.0.20240316=pyhd8ed1ab_0
- typing-extensions=4.11.0=hd8ed1ab_0
- typing_extensions=4.11.0=pyha770c72_0
- typing_utils=0.1.0=pyhd8ed1ab_0
- tzdata=2024a=h0c530f3_0
- umap-learn=0.5.5=py310hff52083_1
- unicodedata2=15.1.0=py310h2372a71_0
- uri-template=1.3.0=pyhd8ed1ab_0
- urllib3=2.2.1=pyhd8ed1ab_0
- wcwidth=0.2.13=pyhd8ed1ab_0
- webcolors=1.13=pyhd8ed1ab_0
- webencodings=0.5.1=pyhd8ed1ab_2
- websocket-client=1.8.0=pyhd8ed1ab_0
- wheel=0.43.0=pyhd8ed1ab_1
- xorg-kbproto=1.0.7=h7f98852_1002
- xorg-libice=1.1.1=hd590300_0
- xorg-libsm=1.2.4=h7391055_0
- xorg-libx11=1.8.9=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-xproto=7.0.31=h7f98852_1007
- xyzservices=2024.4.0=pyhd8ed1ab_0
- xz=5.2.6=h166bdaf_0
- yaml=0.2.5=h7f98852_2
- zeromq=4.3.5=h75354e8_3
- zipp=3.17.0=pyhd8ed1ab_0
- zlib=1.2.13=hd590300_5
- zstd=1.5.6=ha6fb4c9_0
- pip:
- dill==0.3.8
- fasteners==0.19
- griddataformats==1.0.2
- mda-xdrlib==0.2.0
- mdanalysis==2.7.0
- meeko==0.5.0
- mmtf-python==1.1.3
- mrcfile==1.5.0
- msgpack==1.0.8
- multiprocess==0.70.16
- pandarallel==1.6.5
- prolif==2.0.3
- python-dateutil==2.9.0.post0
- rdkit==2023.9.6
- ringtail==1.1.0
- termcolor==2.4.0
- xtarfile==0.2.1
prefix: /home/fredy/anaconda3/envs/CCAD_platform