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environment_exact.yml
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name: nmr_assign_state
channels:
- defaults
- conda-forge
dependencies:
- _libgcc_mutex=0.1=conda_forge
- _openmp_mutex=4.5=1_gnu
- aiohttp=3.6.2=py38h1e0a361_1
- argon2-cffi=20.1.0=py38h1e0a361_2
- arviz=0.10.0=py_0
- async-timeout=3.0.1=py_1000
- async_generator=1.10=py_0
- attrs=20.2.0=pyh9f0ad1d_0
- backcall=0.2.0=pyh9f0ad1d_0
- backports=1.0=py_2
- backports.functools_lru_cache=1.6.1=py_0
- binutils_impl_linux-64=2.35=h18a2f87_9
- binutils_linux-64=2.35=hc3fd857_29
- biopython=1.78=py38h1e0a361_0
- bleach=3.2.1=pyh9f0ad1d_0
- blinker=1.4=py_1
- brotlipy=0.7.0=py38h8df0ef7_1001
- bzip2=1.0.8=h516909a_3
- c-ares=1.16.1=h516909a_3
- ca-certificates=2020.6.20=hecda079_0
- cachetools=4.1.1=py_0
- certifi=2020.6.20=py38h924ce5b_2
- cffi=1.14.3=py38h1bdcb99_1
- cftime=1.2.1=py38hab2c0dc_1
- chardet=3.0.4=py38h924ce5b_1008
- click=7.1.2=pyh9f0ad1d_0
- cryptography=3.1.1=py38hb23e4d4_1
- curl=7.71.1=he644dc0_8
- cycler=0.10.0=py_2
- decorator=4.4.2=py_0
- defusedxml=0.6.0=py_0
- entrypoints=0.3=py38h32f6830_1002
- fastprogress=1.0.0=py_0
- freetype=2.10.3=he06d7ca_0
- gcc_impl_linux-64=7.5.0=hd9e1a51_17
- gcc_linux-64=7.5.0=he2a3fca_29
- google-auth=1.22.0=py_0
- google-auth-oauthlib=0.4.1=py_2
- griddataformats=0.5.0=py_0
- gsd=2.2.0=py38hab2c0dc_1
- gspread=3.6.0=pyh9f0ad1d_0
- gxx_impl_linux-64=7.5.0=h7ea4de1_17
- gxx_linux-64=7.5.0=h547f3ba_29
- h5py=2.10.0=nompi_py38h7442b35_105
- hdf4=4.2.13=hf30be14_1003
- hdf5=1.10.6=nompi_h3c11f04_101
- icu=67.1=he1b5a44_0
- idna=2.10=pyh9f0ad1d_0
- importlib-metadata=2.0.0=py_1
- importlib_metadata=2.0.0=1
- ipykernel=5.3.4=py38h1cdfbd6_1
- ipympl=0.5.8=pyh9f0ad1d_0
- ipython=7.18.1=py38h1cdfbd6_1
- ipython_genutils=0.2.0=py_1
- ipywidgets=7.5.1=pyh9f0ad1d_1
- jedi=0.17.2=py38h32f6830_1
- jinja2=2.11.2=pyh9f0ad1d_0
- joblib=0.17.0=py_0
- jpeg=9d=h516909a_0
- jsonschema=3.2.0=py_2
- jupyter_client=6.1.7=py_0
- jupyter_core=4.6.3=py38h32f6830_2
- jupyterlab_pygments=0.1.2=pyh9f0ad1d_0
- kernel-headers_linux-64=2.6.32=h77966d4_13
- kiwisolver=1.2.0=py38hbf85e49_1
- krb5=1.17.1=hfafb76e_3
- lcms2=2.11=hbd6801e_0
- ld_impl_linux-64=2.35=h769bd43_9
- libblas=3.8.0=17_openblas
- libcblas=3.8.0=17_openblas
- libcurl=7.71.1=hcdd3856_8
- libedit=3.1.20191231=he28a2e2_2
- libev=4.33=h516909a_1
- libffi=3.2.1=he1b5a44_1007
- libgcc-devel_linux-64=7.5.0=h42c25f5_17
- libgcc-ng=9.3.0=h5dbcf3e_17
- libgfortran-ng=7.5.0=hae1eefd_17
- libgfortran4=7.5.0=hae1eefd_17
- libgomp=9.3.0=h5dbcf3e_17
- libgpuarray=0.7.6=h14c3975_1003
- liblapack=3.8.0=17_openblas
- libnetcdf=4.7.4=nompi_h84807e1_105
- libnghttp2=1.41.0=h8cfc5f6_2
- libopenblas=0.3.10=pthreads_hb3c22a3_5
- libpng=1.6.37=hed695b0_2
- libsodium=1.0.18=h516909a_1
- libssh2=1.9.0=hab1572f_5
- libstdcxx-devel_linux-64=7.5.0=h4084dd6_17
- libstdcxx-ng=9.3.0=h2ae2ef3_17
- libtiff=4.1.0=hc7e4089_6
- libuv=1.40.0=hd18ef5c_0
- libwebp-base=1.1.0=h516909a_3
- lz4-c=1.9.2=he1b5a44_3
- mako=1.1.3=pyh9f0ad1d_0
- markupsafe=1.1.1=py38h8df0ef7_2
- matplotlib-base=3.3.2=py38h4d1ce4f_1
- mdanalysis=1.0.0=py38h950e882_0
- mistune=0.8.4=py38h1e0a361_1002
- mmtf-python=1.1.2=py_0
- msgpack-python=1.0.0=py38hbf85e49_2
- multidict=4.7.5=py38h1e0a361_2
- nbclient=0.5.0=py_0
- nbconvert=6.0.7=py38h32f6830_1
- nbformat=5.0.8=py_0
- ncurses=6.2=he1b5a44_2
- nest-asyncio=1.4.1=py_0
- netcdf4=1.5.4=nompi_py38hec8b9af_103
- networkx=2.5=py_0
- nglview=2.7.7=pyh5ca1d4c_1
- nodejs=14.14.0=h568c755_0
- notebook=6.1.4=py38h32f6830_1
- numpy=1.19.2=py38hf89b668_1
- oauthlib=3.0.1=py_0
- olefile=0.46=py_0
- openssl=1.1.1h=h516909a_0
- packaging=20.4=pyh9f0ad1d_0
- pandas=1.1.3=py38hddd6c8b_2
- pandoc=2.11.0.1=hd18ef5c_0
- pandocfilters=1.4.2=py_1
- parso=0.7.1=pyh9f0ad1d_0
- patsy=0.5.1=py_0
- pexpect=4.8.0=pyh9f0ad1d_2
- pickleshare=0.7.5=py_1003
- pillow=8.0.0=py38h9776b28_0
- pip=20.2.4=py_0
- prometheus_client=0.8.0=pyh9f0ad1d_0
- prompt-toolkit=3.0.8=py_0
- ptyprocess=0.6.0=py_1001
- pyasn1=0.4.8=py_0
- pyasn1-modules=0.2.7=py_0
- pycparser=2.20=pyh9f0ad1d_2
- pygments=2.7.1=py_0
- pygpu=0.7.6=py38hab2c0dc_1002
- pyjwt=1.7.1=py_0
- pymc3=3.9.3=py_1
- pyopenssl=19.1.0=py_1
- pyparsing=2.4.7=pyh9f0ad1d_0
- pyrsistent=0.17.3=py38h1e0a361_1
- pysocks=1.7.1=py38h924ce5b_2
- python=3.8.5=h1103e12_9_cpython
- python-dateutil=2.8.1=py_0
- python_abi=3.8=1_cp38
- pytz=2020.1=pyh9f0ad1d_0
- pyzmq=19.0.2=py38ha71036d_2
- readline=8.0=he28a2e2_2
- requests=2.24.0=pyh9f0ad1d_0
- requests-oauthlib=1.3.0=pyh9f0ad1d_0
- rsa=4.6=pyh9f0ad1d_0
- scikit-learn=0.23.2=py38hee58b96_0
- scipy=1.5.2=py38h8c5af15_2
- seaborn=0.11.0=0
- seaborn-base=0.11.0=py_0
- send2trash=1.5.0=py_0
- setuptools=49.6.0=py38h924ce5b_2
- six=1.15.0=pyh9f0ad1d_0
- sqlite=3.33.0=h4cf870e_1
- statsmodels=0.12.0=py38hab2c0dc_1
- sysroot_linux-64=2.12=h77966d4_13
- terminado=0.9.1=py38h32f6830_1
- testpath=0.4.4=py_0
- theano=1.0.5=py38h950e882_0
- threadpoolctl=2.1.0=pyh5ca1d4c_0
- tk=8.6.10=hed695b0_1
- tornado=6.0.4=py38h1e0a361_2
- tqdm=4.50.2=pyh9f0ad1d_0
- traitlets=5.0.4=py_1
- typing-extensions=3.7.4.3=0
- typing_extensions=3.7.4.3=py_0
- urllib3=1.25.10=py_0
- wcwidth=0.2.5=pyh9f0ad1d_2
- webencodings=0.5.1=py_1
- wheel=0.35.1=pyh9f0ad1d_0
- widgetsnbextension=3.5.1=py38h32f6830_1
- xarray=0.16.1=py_0
- xz=5.2.5=h516909a_1
- yarl=1.6.2=py38h1e0a361_0
- zeromq=4.3.3=he1b5a44_2
- zipp=3.3.0=py_0
- zlib=1.2.11=h516909a_1010
- zstd=1.4.5=h6597ccf_2
- pip:
- astor==0.8.1
- brokenaxes==0.4.2
- cellbell==0.0.3
- gmxapi==0.2.0a1
- mdtraj==1.9.4
- pyglet==1.5.7
prefix: /home/sperez/data_partition/bin2/anaconda3/envs/nmr_assign_state