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environment.yml
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name: msm
channels:
- conda-forge
- omnia
- defaults
dependencies:
- _libgcc_mutex=0.1=conda_forge
- _openmp_mutex=4.5=2_gnu
- alembic=1.13.1=pyhd8ed1ab_1
- alsa-lib=1.2.10=hd590300_0
- asttokens=2.4.1=pyhd8ed1ab_0
- astunparse=1.6.3=pyhd8ed1ab_0
- attr=2.5.1=h166bdaf_1
- biopython=1.83=py310h2372a71_0
- blosc=1.21.6=hef167b5_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
- c-ares=1.21.0=hd590300_0
- c-blosc2=2.11.2=hb4ffafa_0
- ca-certificates=2024.8.30=hbcca054_0
- cached-property=1.5.2=hd8ed1ab_1
- cached_property=1.5.2=pyha770c72_1
- cairo=1.18.0=h3faef2a_0
- certifi=2024.8.30=pyhd8ed1ab_0
- cftime=1.6.3=py310h1f7b6fc_0
- charset-normalizer=3.3.2=pyhd8ed1ab_0
- colorama=0.4.6=pyhd8ed1ab_0
- colorlog=6.8.2=py310hff52083_0
- comm=0.1.4=pyhd8ed1ab_0
- contourpy=1.2.0=py310hd41b1e2_0
- cpython=3.10.15=py310hd8ed1ab_2
- cycler=0.12.1=pyhd8ed1ab_0
- dbus=1.13.6=h5008d03_3
- debugpy=1.8.0=py310hc6cd4ac_1
- decorator=5.1.1=pyhd8ed1ab_0
- deeptime=0.4.4=py310hcc13569_1
- dill=0.3.7=pyhd8ed1ab_0
- exceptiongroup=1.2.0=pyhd8ed1ab_0
- executing=2.0.1=pyhd8ed1ab_0
- expat=2.5.0=hcb278e6_1
- fasteners=0.17.3=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=2.14.2=h14ed4e7_0
- fonts-conda-ecosystem=1=0
- fonts-conda-forge=1=0
- fonttools=4.44.0=py310h2372a71_0
- freetype=2.12.1=h267a509_2
- gettext=0.21.1=h27087fc_0
- glib=2.82.2=h44428e9_0
- glib-tools=2.82.2=h4833e2c_0
- gmp=6.3.0=hac33072_2
- gmpy2=2.1.5=py310he8512ff_2
- graphite2=1.3.13=h58526e2_1001
- greenlet=3.0.3=py310hc6cd4ac_0
- griddataformats=1.0.2=pyhd8ed1ab_0
- gsd=3.2.1=py310h1f7b6fc_0
- gst-plugins-base=1.22.9=h8e1006c_0
- gstreamer=1.22.9=h98fc4e7_0
- h5py=3.10.0=nompi_py310ha2ad45a_100
- harfbuzz=8.2.1=h3d44ed6_0
- hdf4=4.2.15=h2a13503_7
- hdf5=1.14.2=nompi_h4f84152_100
- humanfriendly=10.0=pyhd8ed1ab_6
- icu=73.2=h59595ed_0
- idna=3.6=pyhd8ed1ab_0
- importlib-metadata=7.0.0=pyha770c72_0
- importlib_metadata=7.0.0=hd8ed1ab_0
- importlib_resources=6.1.1=pyhd8ed1ab_0
- ipykernel=6.26.0=pyhf8b6a83_0
- ipython=8.18.1=pyh707e725_3
- 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=1.21.2=h659d440_0
- lame=3.100=h166bdaf_1003
- lcms2=2.15=hb7c19ff_3
- ld_impl_linux-64=2.40=h41732ed_0
- lerc=4.0.0=h27087fc_0
- libaec=1.1.2=h59595ed_1
- libblas=3.9.0=19_linux64_openblas
- 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=15.0.7=default_h127d8a8_5
- libclang13=15.0.7=default_h5d6823c_5
- libcups=2.3.3=h4637d8d_4
- libcurl=8.8.0=hca28451_0
- libdeflate=1.19=hd590300_0
- libedit=3.1.20191231=he28a2e2_2
- libev=4.33=h516909a_1
- 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=14.2.0=h77fa898_1
- libgcc-ng=14.2.0=h69a702a_1
- libgcrypt=1.10.2=hd590300_0
- libgfortran-ng=13.2.0=h69a702a_2
- libgfortran5=13.2.0=ha4646dd_2
- libglib=2.82.2=h2ff4ddf_0
- libgomp=14.2.0=h77fa898_1
- libgpg-error=1.47=h71f35ed_0
- libiconv=1.17=h166bdaf_0
- libjpeg-turbo=3.0.0=hd590300_1
- liblapack=3.9.0=19_linux64_openblas
- libllvm15=15.0.7=hb3ce162_4
- libnetcdf=4.9.2=nompi_h80fb2b6_112
- libnghttp2=1.58.0=h47da74e_0
- 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=1.6.44=hadc24fc_0
- libpq=16.3=ha72fbe1_0
- libsndfile=1.2.2=hc60ed4a_1
- libsodium=1.0.18=h36c2ea0_1
- libsqlite=3.47.0=hadc24fc_1
- libssh2=1.11.0=h0841786_0
- libstdcxx=14.2.0=hc0a3c3a_1
- libstdcxx-ng=13.2.0=h7e041cc_2
- libsystemd0=254=h3516f8a_0
- libtiff=4.6.0=ha9c0a0a_2
- libuuid=2.38.1=h0b41bf4_0
- libvorbis=1.3.7=h9c3ff4c_0
- libwebp-base=1.3.2=hd590300_0
- libxcb=1.15=h0b41bf4_0
- libxcrypt=4.4.36=hd590300_1
- libxkbcommon=1.7.0=h662e7e4_0
- libxml2=2.12.7=h4c95cb1_3
- libzip=1.11.2=h6991a6a_0
- libzlib=1.3.1=hb9d3cd8_2
- lz4-c=1.9.4=hcb278e6_0
- lzo=2.10=h516909a_1000
- mako=1.3.1=pyhd8ed1ab_0
- markupsafe=2.1.4=py310h2372a71_0
- matplotlib=3.8.1=py310hff52083_0
- matplotlib-base=3.8.1=py310h62c0568_0
- matplotlib-inline=0.1.6=pyhd8ed1ab_0
- mda-xdrlib=0.2.0=pyhd8ed1ab_0
- mdanalysis=2.7.0=py310hcc13569_1
- mdshare=0.4.2=py310hff52083_3
- mdtraj=1.10.1=py310he1cc299_0
- mmtf-python=1.1.3=pyhd8ed1ab_0
- mpc=1.3.1=h24ddda3_1
- mpfr=4.2.1=h90cbb55_3
- mpg123=1.32.3=h59595ed_0
- mpmath=1.3.0=pyhd8ed1ab_0
- mrcfile=1.5.0=pyhd8ed1ab_0
- msgpack-python=1.0.7=py310hd41b1e2_0
- msmtools=1.2.6=py310hde88566_3
- multiprocess=0.70.15=py310h2372a71_1
- munkres=1.1.4=pyh9f0ad1d_0
- mysql-common=8.0.33=hf1915f5_6
- mysql-libs=8.0.33=hca2cd23_6
- natsort=8.4.0=pyhd8ed1ab_0
- ncurses=6.5=he02047a_1
- nest-asyncio=1.5.8=pyhd8ed1ab_0
- netcdf4=1.6.5=nompi_py310hba70d50_100
- networkx=3.2.1=pyhd8ed1ab_0
- nomkl=1.0=h5ca1d4c_0
- nspr=4.35=h27087fc_0
- nss=3.105=hd34e28f_0
- numexpr=2.8.7=py310hc2d3c2e_104
- numpy=1.26.0=py310hb13e2d6_0
- openjpeg=2.5.2=h488ebb8_0
- openssl=3.3.2=hb9d3cd8_0
- optuna=3.5.0=pyhd8ed1ab_0
- packaging=23.2=pyhd8ed1ab_0
- pandas=2.1.2=py310hcc13569_0
- parso=0.8.3=pyhd8ed1ab_0
- pathos=0.3.1=pyhd8ed1ab_0
- patsy=0.5.4=pyhd8ed1ab_0
- pcre2=10.44=hba22ea6_2
- pexpect=4.8.0=pyh1a96a4e_2
- pickleshare=0.7.5=py_1003
- pillow=10.1.0=py310h01dd4db_0
- pip=23.3.1=pyhd8ed1ab_0
- pixman=0.42.2=h59595ed_0
- platformdirs=4.1.0=pyhd8ed1ab_0
- ply=3.11=py_1
- pox=0.3.3=pyhd8ed1ab_0
- ppft=1.7.6.7=pyhd8ed1ab_0
- progress_reporter=2.0=py_0
- prompt-toolkit=3.0.42=pyha770c72_0
- psutil=5.9.5=py310h2372a71_1
- 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
- py-cpuinfo=9.0.0=pyhd8ed1ab_0
- pyedr=0.8.0=pyhd8ed1ab_0
- pyemma=2.5.12=py310h769672d_1
- pygments=2.17.2=pyhd8ed1ab_0
- pyparsing=3.1.1=pyhd8ed1ab_0
- pyqt=5.15.9=py310h04931ad_5
- pyqt5-sip=12.12.2=py310hc6cd4ac_5
- pysocks=1.7.1=pyha2e5f31_6
- pytables=3.9.2=py310h374b01c_0
- python=3.10.15=h4a871b0_2_cpython
- python-dateutil=2.8.2=pyhd8ed1ab_0
- python-tzdata=2023.3=pyhd8ed1ab_0
- python_abi=3.10=4_cp310
- pytng=0.3.3=py310he95d665_1
- pytz=2023.3.post1=pyhd8ed1ab_0
- pyyaml=6.0.1=py310h2372a71_1
- pyzmq=25.1.2=py310h795f18f_0
- qt-main=5.15.8=h82b777d_17
- readline=8.2=h8228510_1
- requests=2.31.0=pyhd8ed1ab_0
- scikit-learn=1.3.2=py310h1fdf081_1
- scipy=1.11.3=py310hb13e2d6_1
- 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
- snappy=1.2.1=ha2e4443_0
- sqlalchemy=2.0.25=py310h2372a71_0
- sqlite=3.47.0=h9eae976_1
- stack_data=0.6.2=pyhd8ed1ab_0
- statsmodels=0.14.0=py310h1f7b6fc_3
- sympy=1.13.3=pyh2585a3b_104
- threadpoolctl=3.2.0=pyha21a80b_0
- tidynamics=1.1.2=pyhd8ed1ab_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=5.14.0=pyhd8ed1ab_0
- typing-extensions=4.9.0=hd8ed1ab_0
- typing_extensions=4.9.0=pyha770c72_0
- tzdata=2023c=h71feb2d_0
- unicodedata2=15.1.0=py310h2372a71_0
- wcwidth=0.2.12=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
- 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
- yaml=0.2.5=h7f98852_2
- zeromq=4.3.5=h59595ed_0
- zipp=3.17.0=pyhd8ed1ab_0
- zlib=1.3.1=hb9d3cd8_2
- zlib-ng=2.0.7=h0b41bf4_0
- zstd=1.5.6=ha6fb4c9_0
- pip:
- addict==2.4.0
- anyio==4.2.0
- argon2-cffi==23.1.0
- argon2-cffi-bindings==21.2.0
- arrow==1.3.0
- async-lru==2.0.4
- attrs==23.2.0
- babel==2.14.0
- beautifulsoup4==4.12.3
- bleach==6.1.0
- cffi==1.16.0
- defusedxml==0.7.1
- fastjsonschema==2.19.1
- fqdn==1.5.1
- isoduration==20.11.0
- jinja2==3.1.3
- json5==0.9.14
- jsonpointer==2.4
- jsonschema==4.21.1
- jsonschema-specifications==2023.12.1
- jupyter-events==0.9.0
- jupyter-lsp==2.2.2
- jupyter-server==2.12.5
- jupyter-server-terminals==0.5.2
- jupyterlab==4.0.11
- jupyterlab-pygments==0.3.0
- jupyterlab-server==2.25.2
- memory-profiler==0.61.0
- midiutil==1.2.1
- mistune==3.0.2
- nbclient==0.9.0
- nbconvert==7.14.2
- nbformat==5.9.2
- notebook-shim==0.2.3
- overrides==7.6.0
- pandocfilters==1.5.1
- prometheus-client==0.19.0
- pycparser==2.21
- python-json-logger==2.0.7
- referencing==0.32.1
- rfc3339-validator==0.1.4
- rfc3986-validator==0.1.1
- rpds-py==0.17.1
- send2trash==1.8.2
- sniffio==1.3.0
- soupsieve==2.5
- terminado==0.18.0
- tinycss2==1.2.1
- types-python-dateutil==2.8.19.20240106
- uri-template==1.3.0
- urllib3==2.1.0
- webcolors==1.13
- webencodings==0.5.1
- websocket-client==1.7.0
prefix: /home/rzhu/Loc/miniconda3/envs/msm