Saravanan666/pypi-org huggingface dataset:
Package: qctools
qctoolsPython tools for quantum chemistsFeaturesDefine Event Handlers for straightforward parsing of Quantum Chemistry OutputExample:Read natoms from Gaussian Output file:1. Step: Define the EventThe number of atoms are written typically in the following way
in the Gaussian output file:.Gaussian Log File...
NAtoms=    3 NActive=    3 NUniq=    2 SFac= 2.25D+00 NAtFMM=   50 NAOKFM=F Big=F
One-electron integrals computed using PRISM.
...the event should do the following:It should loop over all lines of the file, till it findes the
KeywordNAtoms=It should return that line and extract the 2. element of that
line as a stringThe corresponding event looks like:>>> NAtoms = Event('NAtoms',
...                'grep', {'keyword': 'NAtoms=',
...                         'ilen': 1,
...                         'ishift': 0},
...                func='split',
...                func_kwargs={'idx': 1, 'typ': int}
...)The first entry is the name of the event, and can be any name.
The second entry is the type of the event, in this case just grep.
The third entry gives the parameter to the corresponding event function:
[we want to search for ‘NAtoms=’ and return a single line (ilen=1)
not shifted (ishift=0) from the keyword.]Afterwards the line is given to a postprocessing function (‘split’) which
splits the line by spaces and returns the element[1] of the line as an integer.
Remember, this is Python/C notation to element[1] is the second element in the list.For the Forces the event should look the following:-------------------------------------------------------------------
Center     Atomic                   Forces (Hartrees/Bohr)
Number     Number              X              Y              Z
-------------------------------------------------------------------
     1        8           0.000000000    0.000000000    0.005485119
     2        1           0.000000000    0.017353174   -0.002742559
     3        1           0.000000000   -0.017353174   -0.002742559
------------------------------------------------------------------>>> forces = Event('forces',
...                'xgrep', {'keyword': 'Forces (Hartrees/Bohr)',
...                          'ilen': 'NAtoms',
...                          'ishift': 3},
...                func='split',
...                func_kwargs={'idx': [2, 3, 4], 'typ': [float, float, float]},
...                settings={'multi': False},
...)2. Step: Add the new event to an existing Event Handler>>> GaussianReader.add_event("NAtoms", NAtoms)
>>> GaussianReader.add_event("forces", forces)3. Step: Use the Event Handler to parse an file>>> gauout = GaussianReader("h2o.log", ["NAtoms", "forces"])
>>> gauout["NAtoms"]
3
>>> gauout["forces"]
[[0.0,0.0,0.005485119],[0.0,0.017353174,-0.002742559],[0.0,-0.017353174,-0.002742559]]CreditsDevelopment LeadMaximilian MengerContributorsWhy not be the first?Thanks to:Boris MaryasinGustavo CardenasCreditsThis package was created withCookiecutterand theaudreyr/cookiecutter-pypackageproject template.History0.1.0 (2019-04-12)First release on PyPI.
Package: qctrl
⚠️ (DEPRECATED) This package has been deprecated ⚠️We've created a new dedicated and improved Boulder Opal client,boulderopal. Support for the legacyqctrlclient ended on 2024-01-31. You can read theBoulder Opal get started guideorcontact usif you need assistance.Q-CTRLThe Q-CTRL Python package provides an intuitive and convenient Python interface
to Q-CTRL's quantum control solutions for users of Boulder Opal. Boulder Opal
is a versatile Python toolset that provides everything a research team needs to
automate and improve the performance of hardware for quantum computing and
quantum sensing.
Package: qctrl-experiment-scheduler
Q-CTRL Experiment SchedulerThe Q-CTRL Experiment Scheduler package for Boulder Opal allows you to automate the workflow of complex calibration procedures. The scheduler will take into account the dependency between different parts of the calibration, the status of each of these parts, and the parameters that you are most interested in the calibration. With this information, it will determine the sequence that the calibrations have to be executed and run them for you.The Q-CTRL Experiment Scheduler was developed to be used with the quantum control software toolset Boulder Opal. See how you canget started with Boulder Opaltoday.
Package: qctrl-open-controls
Q-CTRL Open ControlsQ-CTRL Open Controls is an open-source Python package that makes it easy to create and deploy established error-robust quantum control protocols from the open literature. The aim of the package is to be the most comprehensive library of published and tested quantum control techniques developed by the community, with easy to use export functions allowing users to deploy these controls on:Custom quantum hardwarePublicly available cloud quantum computersTheQ-CTRL product suiteAnyone interested in quantum control is welcome to contribute to this project.
Package: qctrl-release-noter
Q-CTRL Release NoterThe Q-CTRL Release Noter Python package provides a command line tool that generates the recommended release notes for a GitHub package from Q-CTRL.InstallationInstall the Q-CTRL Release Noter with:pipinstallqctrl-release-noterUsageIn the repository whose release notes you want to generate, run:release_noterYou can also specify the path of the repository:release_noter/path/to/repositoryTo prefill the information on the GitHub release page, use:release_noter--github
Package: qctrl-sphinx-theme
Q-CTRL Sphinx ThemeThe Q-CTRL Sphinx Theme is a very opinionatedSphinxtheme intended for use with publicQ-CTRL Documentationwebsites such as theQ-CTRL Python package.InstallationInstall the Q-CTRL Sphinx Theme package.pipinstallqctrl-sphinx-themeAddqctrl-sphinx-themeas a dev dependency in yourpyproject.tomlfile.Add the following to your project’sconf.pyfile:html_theme="qctrl_sphinx_theme"ConfigurationThe Q-CTRL Sphinx Theme requires no configuration and there is no need to set anyhtml_theme_optionsin your project’sconf.pyfile. The theme will automatically set all necessary theme options and will update any theme option with an available environment variable if one exists.
Package: qctrl-visualizer
Q-CTRL VisualizerThe Q-CTRL Visualizer offers broad functionality to visually engage with quantum dynamics and quantum controls. These tools can help you develop understanding and intuition, and ultimately support the implementation of your quantum controls. See the topicVisualizing your data using the Q-CTRL Visualizerin the Q-CTRL documentation for more information.The Q-CTRL Visualizer is meant to be used with the Q-CTRL products Boulder Opal, Fire Opal, and Open Controls. See how you can get started withBoulder OpalandFire Opaltoday.
Package: qcware
Forge Client LibraryThis package contains functions for easily interfacing with Forge.InstallationTo install with pip:pipinstallqcwareTo install from source, you must first installpoetry.
Then, execute the following:gitclonehttps://github.com/qcware/platform_client_library_python.gitcdplatform_client_library_pythonpoetrybuildcddistpipinstallqcware-7.0.0-py3-none-any.whlAPI KeyTo use the client library, you will need an API key. You can sign up for one athttps://forge.qcware.com.To access your API key, log in toForgeand navigate to the API page. Your API key should be plainly visible there.A Tiny ProgramThe following code snippet illustrates how you might run Forge client code locally. Please make sure that you have installed the client library and obtained an API key before running the Python code presented below.# configurationfromqcware.forge.configimportset_api_key,set_hostset_api_key('YOUR-API-KEY-HERE')set_host('https://api.forge.qcware.com')# specify the problem (for more details, see the "Getting Started" Jupyter notebook on Forge)fromqcware.forgeimportoptimizationfromqcware.typesimportPolynomialObjective,Constraints,BinaryProblemqubo={(0,0):1,(0,1):1,(1,1):1,(1,2):1,(2,2):-1}qubo_objective=PolynomialObjective(polynomial=qubo,num_variables=3,domain='boolean')# run a CPU-powered brute force solutionresults=optimization.brute_force_minimize(objective=qubo_objective,backend='qcware/cpu')print(results)If the client code has been properly installed and configured, the above code should display a result similar to the following:Objectivevalue:-1Solution:[0,0,1]For further guidance on running client code to solve machine learning problems, optimization problems, and more, please read through the documentation made available athttps://qcware.readthedocs.ioas well as the Jupyter notebooks made available onForge.
Package: qcware-quasar
QuasarBuild status:What is Quasar?Quasar is an abstract library for creating and evaluating quantum computing
circuits.  It also can be a way of transforming those circuits to be run
natively on a variety of QC architectures.This public version of Quasar is used to create circuits
that can be evaluated on QC Ware'sForgeplatform, but also can do
some evaluations locally with a classical simulation backend.
Package: qdafile
Qdafile is a Python library to read and write KaleidaGraph(tm) version 3.x
QDA data files.KaleidaGraph is a registered trademark ofAbelbeck Software.Qdafile is no longer being actively developed.Author:Christoph GohlkeLicense:BSD 3-ClauseVersion:2022.9.28RequirementsThis release has been tested with the following requirements and dependencies
(other versions may work):CPython 3.8.10, 3.9.13, 3.10.7, 3.11.0rc2NumPy 1.22.4Revisions2022.9.28Return headers as str, not bytes (breaking).Add type hints.Drop support for Python 3.7 and numpy < 1.19 (NEP29).2021.6.6Support os.PathLike file names.Remove support for Python 3.6 (NEP 29).2020.1.1Remove support for Python 2.7 and 3.5.Examples>>> from qdafile import QDAfile
>>> QDAfile().write('_empty.qda')
>>> QDAfile(
...     [[1.0, 2.0, 0.], [3.0, 4.0, 5.0], [6.0, 7.0, 0.]],
...     rows=[2, 3, '2'],
...     headers=['X', 'Y', 'Z'],
...     dtypes=['>f8', '>i4', '>f4'],
... ).write('_test.qda')
>>> qda = QDAfile('_test.qda')
>>> print(qda)
<QDAfile '_test.qda'>
  file id: 12
  columns: 3
  rows: [2, 3, 2]
  headers: ['X', 'Y', 'Z']
  dtypes: ['>f8', '>i4', '>f4']
>>> qda.headers[2]
'Z'
>>> qda[2, :qda.rows[2]]
array([6., 7.])
Package: qdarkgraystyle
QDarkGray StylesheetA dark gray stylesheet for PyQt5 applications. This theme is a gray variation ofQDarkStyleSheettheme.InstallationInstallqdarkgraystylepackage using thesetupscript or usingpippythonsetup.pyinstallorpipinstallqdarkgraystyleThePySideandPyQt4support was dropped in version1.0.0. To useqdarkgraystylewithPySideorPyQt4or withPython 2.7, please use the version0.0.3.pipinstallqdarkgraystyle==0.0.3The support toPySide2will be add in future.UsageHere is an example using PyQt5.importsysimportqdarkgraystylefromPyQt5importQtGui# create the application and the main windowapp=QtGui.QApplication(sys.argv)window=QtGui.QMainWindow()# setup stylesheetapp.setStyleSheet(qdarkgraystyle.load_stylesheet())# runwindow.show()app.exec_()There is an example included in theexamplefolder.pythonexample/example_pyqt5.pyYou can run the script without installingqdarkgraystyle. You only need to have
PyQt5 installed on your system.ContributeIssue Tracker:https://github.com/mstuttgart/qdarkgraystyle/issuesSource Code:https://github.com/mstuttgart/qdarkgraystyleSnapshotsHere are a few snapshots:Screenshot 1Screenshot 2Screenshot 3ContributingFork it (https://github.com/mstuttgart/qdarkgraystyle/fork)Create your feature branch (git checkout-bfeature/fooBar)Commit your changes (git commit-am'Add some fooBar')Push to the branch (git push origin feature/fooBar)Create a new Pull RequestCreditsThis package is totally based onQDarkStyleSheettheme created byColin Duquesnoy.Copyright (C) 2017-2018 by Michell Stuttgart
Package: qdata
Qdata - Python SDK for index and search为什么给项目改了名想做一个提供更多数据的SDK包,但不一定有时间。。。老的代码包可以在old_baiduindex里找到会根据我自己个人的数据需求，往里面添加不同的数据源，如果恰好帮助到你，很开心老的数据源会尽力维护Data Sourcehttp://index.baidu.com/http://www.baidu.com/https://www.tianyancha.com/advance/searchInstallpipuninstallpycrypto# 避免与pycryptodome冲突pipinstall--upgradeqdataExamples百度指数./examples/test_baidu_index.py可以参考以下代码进行百度指数的获取./examples/baidu_index_best_practice.py百度搜索./examples/test_baidu_search.py百度登录(获取百度Cookie)./examples/test_baidu_login.py目前只提供二维码登录，密码账号登录也可以做，但不做，因为没必要。幸好工作不做爬虫，心太累了。天眼查./examples/test_tianyancha.py老婆做汇报着急用Changelog2021/03/25 上线2021/03/26 更新百度登录功能2021/04/07 百度指数新增:实时百度指数2021/04/13 添加天眼查高级搜索公司数数据2021/05/18 修正打包问题2022/05/12 百度指数添加Cipher-Text(不确定部分逻辑)2022/05/16 一些小的改动2022/05/30 修正百度指数加密逻辑2022/09/06 添加检查关键词方法、添加最佳实践脚本Stargazers over time
Package: qdatalib
qdatalibNote this project is under development, and will undergo a massive number of breaking changes###TODObetter namingexport to csvbetter handling of not existing filesDescriptionQDataLib is a library of wrappers around some of the most useful ”data”-functions in QCoDeS. The Idea of QDataLib is to keep track of your data files using a MongoDB database, and ease the export to other file formats than SQLiteInstallationTo install QDataLib from source do the following:$gitclonehttps://github.com/qdev-dk/QDataLib.git
$cdQDataLib
$pipinstall.UsageseehereRunning the testsIf you have gotten 'qdatalib' from source, you may run the tests locally.Installqdatalibalong with its test dependencies into your virtual environment by executing the following in the root folder$pipinstall.
$pipinstall-rtest_requirements.txtThen runpytestin thetestsfolder.Building the documentationIf you have gottenqdatalibfrom source, you may build the docs locally.Installqdatalibalong with its documentation dependencies into your virtual environment by executing the following in the root folder$pipinstall.
$pipinstall-rdocs_requirements.txtYou also need to installpandoc. If you are usingconda, that can be achieved by$condainstallpandocelse, seeherefor pandoc's installation instructions.Then runmake htmlin thedocsfolder. The next time you build the documentation, remember to runmake cleanbefore you runmake html.
Package: qdatamatrix
QDataMatrixA PyQt4/PyQt5 widget for viewing and editing aDataMatrixobject.Sebastiaan MathôtCopyright 2016-2023https://pydatamatrix.eu/AboutTheqdatamatrixpackage provides a graphical widget to view and edit adatamatrixobject.DependenciesPython 2.7 or >= 3.4datamatrixqtpyUsageSeeexample.py, included with the source code.Licenseqdatamatrixis licensed under theGNU General Public License
v3.
Package: qdbg
qdbgQuick debug tool - a general purpose CLI debugging utilityIntroductionEliminate the wasted clicks and keystrokes involved with copying your error messages into a search bar.qdbgdoes this tedious task for you (and we know you do it a lot :wink:). Simply run any command, and when your program inevitably fails,qdbgwill automatically open a search tab for you.qdbg<cmd>In the unlikely event that your program runs successfully,qdbgwill stay out of your way.RequirementsA developer that runs faulty programsPython 3.7+Linux or OSX operating systemA functioning web browserDependenciesqdbgis implemented only using the Python3 standard library. The package does have a few developer dependencies, includingpython-poetry, that are listed inpyproject.toml.InstallationOSX / Linux (recommended)curl-sSLhttps://raw.githubusercontent.com/hermgerm29/qdbg/main/get-qdbg.py|python-WindowsNot supported.PyPIqdbgis available on PyPI, but the recommended install method is preferred.Creditsqdbg's installation script is heavily derived frompython-poetry.
Package: qdc-converter
Русский|EnglishQDC КонвертерКонвертер *.qdc(Garmin QuickDraw Contours)в таблицу *.csv(CSV таблица)или *.grd(Растр ESRI ASCII Grid)УстановкаУстановка одним файломСкачатьрелиз.Установка из PyPI# CLIpipinstallqdc-converter# CLI + GUIpipinstallqdc-converter[gui]Установка из репозиторияgitclonehttps://github.com/interlark/qdc-convertercdqdc-converter

python-mvenvvenv# Windows.\venv\Scripts\activate.bat# Linux, MacOS.venv/bin/activate# CLIpipinstall.# CLI + GUIpipinstall.[gui]ИспользованиеОсновные параметры:-i,-oи-l.Пример конвертирования папкиContoursс вложенными *.qdcфайлами в таблицуexport_table.csvс 3 полямиX(долгота в десятичных градусах),Y(широта в десятичных градусах)иDepth(m)(глубина в метрах), используя слой данных L_1:qdc-converter -i "Contours" -o "export_table.csv" -l 1Пример конвертирования папкиContoursс вложенными *.qdcфайлами в растрexport_raster.grd, используя слой данных L_0:qdc-converter -i "Contours" -o "export_raster.grd" -l 0Полученный растр можно загрузить во многие ГИС (например, QGIS) и сконвертировать в более быстрочитаемый формат.Параметрыqdc-converter--helpUsage: qdc-converter [OPTIONS]

  QDC Конвертер.

  Конвертер Garmin's QDC файлов в CSV или GRD.

Options:
  Основные параметры:             Ключевые параметры конвертера
    -i, --qdc-folder-path DIRECTORY
                                  Путь до папки со вложенными контурами
                                  QuickDraw Contours (QDC).  [required]

    -o, --output-path FILE        Путь до сконвертированного файла (*.csv или
                                  *.grd).  [required]

    -l, --layer [0,1,2,3,4,5]     Слой данных (0 - Raw user data, 1 -
                                  Recommended).  [0<=x<=5; required]
  Параметры корректировки:        Корректировки
    -dx, --x-correction FLOAT     Корректировка X.
    -dy, --y-correction FLOAT     Корректировка Y.
    -dz, --z-correction FLOAT     Корректировка Z.
  CSV Параметры:                  Параметры касающиеся записи CSV таблицы
    -csvd, --csv-delimiter TEXT   CSV разделитель значений колонок (по-умолчанию ",").
    -csvs, --csv-skip-headers     Не записывать заголовок таблицы.
    -csvy, --csv-yxz              Изменить порядок записи с X,Y,Z на Y,X,Z в
                                  CSV таблице.
  Другие параметры:               Другие параметры конвертера
    -st, --singlethreaded         Запустить конвертер в одном потоке.
    -vc, --validity-codes         Записывать код качества вместо глубины.
    -q, --quite                   "Молчаливый режим"
  --version                       Show the version and exit.
  --help                          Show this message and exit.
Package: qddate
qddateis a Python 3 lib that helps to parse any date strings from html pages extremely fast. This lib was created during long term
news aggregation efforts and analyzing in wild HTML pages with dates. It’s not intended to have beautiful code,
support for so much languages as possible and so on. It should help to process millons of strings to identify
and parse dates. qddata was part of proprietary technology of “news reconstruction”. It’s used to automatically create
RSS feeds from sites without it.If you are looking for more advanced (and slower) date parsing trydateparseranddateutil.DocumentationDocumentation is built automatically and can be found onRead the Docs.FeaturesMore than 348 date patterns supported (by the end 2017)Generic parsing of dates in English, Russian, Spanish, Portugenese and other languagesSupports strings with with left aligned dates and supplimental words. Example: “12.03.1999 some text here”Extremely fast, uses pyparsing, hard-coded constants and dirty speed optimizations tricksLimitationsNot all languages supported, more languages will be added by request and exampleNot so easy to add new language based date patterns as it’s in dateparser for example.Could miss some rarely used date formatsDoesn’t support relative datesDoesn’t support calendarsSpeed optimizationAll constants are hard encoded, no external settingsUses only datetime and pyparsing as external libraries. No more dependencies, all reused code incorporated into the lib codeNo regular expressions, instead pre-generated pyparsing patternsIntensive pattern filtering using min/max text length filters and common text patternsNo one settings/data file loaded from diskUsageThe easiest way is to use theqddate.DateParserclass,
and it’sparsefunction.Popular Formats>>> import qddate
>>> parser = qddate.DateParser()
>>> parser.parse('2012-12-15')
datetime.datetime(2012, 12, 15, 0, 0)
>>> parser.parse(u'Fri, 12 Dec 2014 10:55:50')
datetime.datetime(2014, 12, 12, 10, 55, 50)
>>> parser.parse(u'пятница, июля 17, 2015')  # Russian (17 July 2015)
datetime.datetime(2015, 1, 13, 13, 34)This will try to parse a date from the given string, attempting to
detect the language each time.Dependenciesqddaterelies on following libraries in some ways:pyparsingis a module for advanced text processing.Supported languagesBulgarianCzechEnglishFrenchGermanPortugueseRussianSpanishThanksI wrote this date parsing code at 2008 year and later only updated it several times, migrating from regular expressions
to pyparsing. Looking atdateparser <https://github.com/scrapinghub/dateparser>clean code and documentation motivated me
to return to this code and to clean it up and to share it publicly. I’ve used same documentation and code style approach
and reused build scripts and documentation generation style from dateutil.
Many thanks to ScrapingHub team!
Package: qdds
qddsQuick Django Dev Server usingClickInstall:$ pip install qddsUsing qdds:Inside your Django project folder where manage.py resides

$ devserver

This will start run the equivalent of

$ ./manage.py runserver 0.0.0.0:8000

This makes it run the dev server where it is listening on your IP:8000, and other people on the networks, or your phone on the WiFi can reach the server.Options:You can also use the -regular option to use runserver normally

$ devserver -regular

but don't do this, its silly.
Package: qde
Quality Data ExtractorQDE lets you extract the quality data from a generated data set.Get a relatively smaller data setGenerate new automated samples of it using any generative model.Pass both the sets into qde and get filtered combined data.How to use qdeFit training, generated and test data into qdeqde_obj=qde.quality_data_extractor()qde_obj.fit(train_set,new_set,test_set)Get accuracy of unfiltered combined dataqde_obj.get_accuracy()Get filtered data along with its accuracy using method 1comb_data_1,accuracy_1=qde_obj.get_combined_data(recipe=0)Get filtered data along with its accuracy using method 2comb_data_2,accuracy_2=qde_obj.get_combined_data(recipe=1)
Package: qdill
qdilla VERY minimal python convenience library for dillare youtiredof writingwith open(...) as fevery time you try and use pickle/dill as you're hacking something together in python?this is the library for you.it defines some simple functions over dill so that you can just dovar = qdill.load(filename)ORqdill.save(thing, filename)There's also a thirddefaultLoadfunction.It checks if the file exists, and if the file doesn't exist, it saves the default thing to the file AND returns the default thing.
i.e.var = qdill.defaultLoad(default_thing, filename)you can read the code. it's all just ~25 lines in the__init__.pyif you need more fine-grained control of dill...Don't use this 'library'
Package: qdj
QDJ isdjango-admin.pystartproject, but with your own templates.
The project starter for obsessives with deadlines.Install qdj:# pip install qdjCreate a project template:# qdj createCreated Django 1.3 template in/Users/nath/.qdj/1.3Check out the template:# cd~/.qdj/1.3# find../hooks.py./files./files/settings.py./files/manage.py./files/urls.py./files/__init__.pyAdd a dynamic requirements file:# echo >>files/requirements.txt "django == {{ django_version }}"Start a new project using our template:# cd /tmp# qdj start myprojectShow the created files:# find myprojectmyprojectmyproject/requirements.txtmyproject/settings.pymyproject/manage.pymyproject/urls.pymyproject/__init__.py