Fixed shiftetd correlation for 1 node
This commit is contained in:
sebastiankloth
parent
e321c94c41
commit
57f0a23e00
@ -156,16 +156,21 @@ def shifted_correlation(function, frames, selector=None, segments=10,
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idx = np.unique(np.int_(ls) - 1)
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t = np.array([frames[i].time for i in idx]) - frames[0].time
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pool = ProcessPool(nodes=nodes)
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try:
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result = np.array(pool.map(partial(get_correlation, idx=idx,
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selector=selector),
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start_frames))
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except Exception:
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logger.warning("Something went wrong while calculating the shifted correlation!")
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finally:
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pool.terminate()
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pool.restart()
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if nodes==1:
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result = np.array([get_correlation(start_frame, idx=idx,
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selector=selector)
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for start_frame in start_frames])
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else:
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pool = ProcessPool(nodes=nodes)
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try:
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result = np.array(pool.map(partial(get_correlation, idx=idx,
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selector=selector),
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start_frames))
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except Exception:
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logger.warning("Something went wrong while calculating the shifted correlation!")
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finally:
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pool.terminate()
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pool.restart()
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if average == True:
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clean_result = []
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@ -1,44 +1,65 @@
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alabaster==0.7.12
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anyio==3.6.2
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argon2-cffi==21.3.0
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argon2-cffi-bindings==21.2.0
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asttokens==2.1.0
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arrow==1.2.3
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astroid==2.12.12
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atomicwrites==1.4.1
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attrs==22.1.0
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autopep8==1.6.0
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Babel==2.11.0
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backcall==0.2.0
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beautifulsoup4==4.11.1
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binaryornot==0.4.4
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biopython==1.79
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black==22.10.0
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bleach==5.0.1
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certifi==2022.9.24
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cffi==1.15.1
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chardet==5.0.0
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charset-normalizer==2.1.1
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click==8.1.3
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cloudpickle==2.2.0
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contourpy==1.0.6
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cookiecutter==2.1.1
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cryptography==38.0.3
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cycler==0.11.0
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dask==2022.10.2
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debugpy==1.6.3
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decorator==5.1.1
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defusedxml==0.7.1
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diff-match-patch==20200713
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dill==0.3.6
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docstring-to-markdown==0.10
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docutils==0.19
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entrypoints==0.4
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executing==1.2.0
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fasteners==0.18
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fastjsonschema==2.16.2
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flake8==5.0.4
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fonttools==4.38.0
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fsspec==2022.10.0
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greenlet==2.0.0
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greenlet==2.0.0.post0
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GridDataFormats==1.0.1
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gsd==2.6.0
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gsd==2.6.1
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idna==3.4
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imagesize==1.4.1
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importlib-metadata==5.0.0
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inflection==0.5.1
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intervaltree==3.1.0
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ipydatawidgets==4.3.2
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ipykernel==6.17.0
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ipython==8.6.0
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ipython==7.34.0
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ipython-genutils==0.2.0
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ipyvolume==0.5.2
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ipywebrtc==0.6.0
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ipywidgets==8.0.2
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isort==5.10.1
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jaraco.classes==3.2.3
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jedi==0.18.1
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jeepney==0.8.0
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jellyfish==0.9.0
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Jinja2==3.1.2
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jinja2-time==0.2.0
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joblib==1.2.0
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jsonschema==4.17.0
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jupyter==1.0.0
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@ -53,19 +74,23 @@ jupyter_client==7.4.4
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jupyter_core==4.11.2
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jupyterlab-pygments==0.2.2
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jupyterlab-widgets==3.0.3
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keyring==23.11.0
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kiwisolver==1.4.4
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lazy-object-proxy==1.8.0
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locket==1.0.0
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lxml==4.9.1
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MarkupSafe==2.1.1
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matplotlib==3.6.2
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matplotlib-inline==0.1.6
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mccabe==0.7.0
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MDAnalysis==2.3.0
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mdevaluate==22.11
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mistune==2.0.4
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mmtf-python==1.1.3
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more-itertools==9.0.0
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mrcfile==1.4.3
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msgpack==1.0.4
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multiprocess==0.70.14
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mypy-extensions==0.4.3
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nbclassic==0.4.8
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nbclient==0.7.0
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nbconvert==7.2.3
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@ -75,55 +100,102 @@ networkx==2.8.8
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notebook==6.5.2
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notebook_shim==0.2.2
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numpy==1.23.4
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numpydoc==1.5.0
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packaging==21.3
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pandas==1.5.1
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pandocfilters==1.5.0
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parso==0.8.3
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partd==1.3.0
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pathos==0.3.0
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pathspec==0.10.1
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pexpect==4.8.0
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pickleshare==0.7.5
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Pillow==9.3.0
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platformdirs==2.5.2
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pluggy==1.0.0
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pox==0.3.2
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ppft==1.7.6.6
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prometheus-client==0.15.0
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prompt-toolkit==3.0.31
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prompt-toolkit==3.0.32
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psutil==5.9.3
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psycopg2-binary==2.9.5
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ptyprocess==0.7.0
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pure-eval==0.2.2
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pycodestyle==2.9.1
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pycparser==2.21
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pydocstyle==6.1.1
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pyflakes==2.5.0
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Pygments==2.13.0
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pylint==2.15.5
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pylint-venv==2.3.0
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pyls-spyder==0.4.0
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pyparsing==3.0.9
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PyQt5==5.15.7
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PyQt5-Qt5==5.15.2
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PyQt5-sip==12.11.0
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PyQtWebEngine==5.15.6
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PyQtWebEngine-Qt5==5.15.2
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pyrsistent==0.19.2
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python-dateutil==2.8.2
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python-lsp-black==1.2.1
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python-lsp-jsonrpc==1.0.0
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python-lsp-server==1.6.0
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python-slugify==6.1.2
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pythreejs==2.4.1
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pytoolconfig==1.2.2
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pytz==2022.6
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pyxdg==0.28
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PyYAML==6.0
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pyzmq==24.0.1
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QDarkStyle==3.0.3
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qstylizer==0.2.2
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QtAwesome==1.2.1
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qtconsole==5.4.0
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QtPy==2.2.1
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requests==2.28.1
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rope==1.4.0
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Rtree==1.0.1
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scipy==1.9.3
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SecretStorage==3.3.3
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Send2Trash==1.8.0
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six==1.16.0
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sniffio==1.3.0
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snowballstemmer==2.2.0
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sortedcontainers==2.4.0
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soupsieve==2.3.2.post1
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SQLAlchemy==1.4.42
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stack-data==0.6.0
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store==0.2
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Sphinx==5.3.0
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sphinxcontrib-applehelp==1.0.2
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sphinxcontrib-devhelp==1.0.2
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sphinxcontrib-htmlhelp==2.0.0
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sphinxcontrib-jsmath==1.0.1
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sphinxcontrib-qthelp==1.0.3
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sphinxcontrib-serializinghtml==1.1.5
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spyder==5.4.0
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spyder-kernels==2.4.0
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SQLAlchemy==1.4.43
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terminado==0.17.0
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text-unidecode==1.3
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textdistance==4.5.0
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threadpoolctl==3.1.0
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three-merge==0.1.1
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tinycss2==1.2.1
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toml==0.10.2
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tomli==2.0.1
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tomlkit==0.11.6
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toolz==0.12.0
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tornado==6.2
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tqdm==4.64.1
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traitlets==5.5.0
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traittypes==0.2.1
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tudplot==0.1
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typing_extensions==4.4.0
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ujson==5.5.0
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urllib3==1.26.12
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watchdog==2.1.9
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wcwidth==0.2.5
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webencodings==0.5.1
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websocket-client==1.4.1
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websocket-client==1.4.2
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whatthepatch==1.0.2
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widgetsnbextension==4.0.3
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wrapt==1.14.1
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wurlitzer==3.0.2
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yapf==0.32.0
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zipp==3.10.0
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