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chemistry-tools-0.5.1

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توضیحات

Python tools for analysis of chemical compounds.
ویژگی مقدار
سیستم عامل -
نام فایل chemistry-tools-0.5.1
نام chemistry-tools
نسخه کتابخانه 0.5.1
نگهدارنده []
ایمیل نگهدارنده []
نویسنده -
ایمیل نویسنده Dominic Davis-Foster <dominic@davis-foster.co.uk>
آدرس صفحه اصلی https://github.com/domdfcoding/chemistry_tools
آدرس اینترنتی https://pypi.org/project/chemistry-tools/
مجوز LGPL-3.0-or-later
===================== Chemistry Tools ===================== .. start short_desc **Python tools for analysis of chemical compounds.** .. end short_desc .. start shields .. list-table:: :stub-columns: 1 :widths: 10 90 * - Docs - |docs| |docs_check| * - Tests - |actions_linux| |actions_windows| |actions_macos| |coveralls| * - PyPI - |pypi-version| |supported-versions| |supported-implementations| |wheel| * - Anaconda - |conda-version| |conda-platform| * - Activity - |commits-latest| |commits-since| |maintained| |pypi-downloads| * - QA - |codefactor| |actions_flake8| |actions_mypy| * - Other - |license| |language| |requires| .. |docs| image:: https://img.shields.io/readthedocs/chemistry_tools/latest?logo=read-the-docs :target: https://chemistry_tools.readthedocs.io/en/latest :alt: Documentation Build Status .. |docs_check| image:: https://github.com/domdfcoding/chemistry_tools/workflows/Docs%20Check/badge.svg :target: https://github.com/domdfcoding/chemistry_tools/actions?query=workflow%3A%22Docs+Check%22 :alt: Docs Check Status .. |actions_linux| image:: https://github.com/domdfcoding/chemistry_tools/workflows/Linux/badge.svg :target: https://github.com/domdfcoding/chemistry_tools/actions?query=workflow%3A%22Linux%22 :alt: Linux Test Status .. |actions_windows| image:: https://github.com/domdfcoding/chemistry_tools/workflows/Windows/badge.svg :target: https://github.com/domdfcoding/chemistry_tools/actions?query=workflow%3A%22Windows%22 :alt: Windows Test Status .. |actions_macos| image:: https://github.com/domdfcoding/chemistry_tools/workflows/macOS/badge.svg :target: https://github.com/domdfcoding/chemistry_tools/actions?query=workflow%3A%22macOS%22 :alt: macOS Test Status .. |actions_flake8| image:: https://github.com/domdfcoding/chemistry_tools/workflows/Flake8/badge.svg :target: https://github.com/domdfcoding/chemistry_tools/actions?query=workflow%3A%22Flake8%22 :alt: Flake8 Status .. |actions_mypy| image:: https://github.com/domdfcoding/chemistry_tools/workflows/mypy/badge.svg :target: https://github.com/domdfcoding/chemistry_tools/actions?query=workflow%3A%22mypy%22 :alt: mypy status .. |requires| image:: https://dependency-dash.herokuapp.com/github/domdfcoding/chemistry_tools/badge.svg :target: https://dependency-dash.herokuapp.com/github/domdfcoding/chemistry_tools/ :alt: Requirements Status .. |coveralls| image:: https://img.shields.io/coveralls/github/domdfcoding/chemistry_tools/master?logo=coveralls :target: https://coveralls.io/github/domdfcoding/chemistry_tools?branch=master :alt: Coverage .. |codefactor| image:: https://img.shields.io/codefactor/grade/github/domdfcoding/chemistry_tools?logo=codefactor :target: https://www.codefactor.io/repository/github/domdfcoding/chemistry_tools :alt: CodeFactor Grade .. |pypi-version| image:: https://img.shields.io/pypi/v/chemistry_tools :target: https://pypi.org/project/chemistry_tools/ :alt: PyPI - Package Version .. |supported-versions| image:: https://img.shields.io/pypi/pyversions/chemistry_tools?logo=python&logoColor=white :target: https://pypi.org/project/chemistry_tools/ :alt: PyPI - Supported Python Versions .. |supported-implementations| image:: https://img.shields.io/pypi/implementation/chemistry_tools :target: https://pypi.org/project/chemistry_tools/ :alt: PyPI - Supported Implementations .. |wheel| image:: https://img.shields.io/pypi/wheel/chemistry_tools :target: https://pypi.org/project/chemistry_tools/ :alt: PyPI - Wheel .. |conda-version| image:: https://img.shields.io/conda/v/domdfcoding/chemistry_tools?logo=anaconda :target: https://anaconda.org/domdfcoding/chemistry_tools :alt: Conda - Package Version .. |conda-platform| image:: https://img.shields.io/conda/pn/domdfcoding/chemistry_tools?label=conda%7Cplatform :target: https://anaconda.org/domdfcoding/chemistry_tools :alt: Conda - Platform .. |license| image:: https://img.shields.io/github/license/domdfcoding/chemistry_tools :target: https://github.com/domdfcoding/chemistry_tools/blob/master/LICENSE :alt: License .. |language| image:: https://img.shields.io/github/languages/top/domdfcoding/chemistry_tools :alt: GitHub top language .. |commits-since| image:: https://img.shields.io/github/commits-since/domdfcoding/chemistry_tools/v0.5.1 :target: https://github.com/domdfcoding/chemistry_tools/pulse :alt: GitHub commits since tagged version .. |commits-latest| image:: https://img.shields.io/github/last-commit/domdfcoding/chemistry_tools :target: https://github.com/domdfcoding/chemistry_tools/commit/master :alt: GitHub last commit .. |maintained| image:: https://img.shields.io/maintenance/yes/2022 :alt: Maintenance .. |pypi-downloads| image:: https://img.shields.io/pypi/dm/chemistry_tools :target: https://pypi.org/project/chemistry_tools/ :alt: PyPI - Downloads .. end shields Installation ================ .. start installation ``chemistry_tools`` can be installed from PyPI or Anaconda. To install with ``pip``: .. code-block:: bash $ python -m pip install chemistry_tools To install with ``conda``: * First add the required channels .. code-block:: bash $ conda config --add channels https://conda.anaconda.org/conda-forge $ conda config --add channels https://conda.anaconda.org/domdfcoding * Then install .. code-block:: bash $ conda install chemistry_tools .. end installation lookup and pubchem adapted from PubChemPy ========================================= Python interface to the PubChem REST API | Copyright 2017 Matt Swain <m.swain@me.com> https://github.com/mcs07/PubChemPy Available under the MIT License SpectrumSimilarity ====================================== Perform mass spectrum similarity calculations | Adapted from SpectrumSimilarity.R Part of OrgMassSpecR Copyright 2011-2017 Nathan Dodder <nathand@sccwrp.org> https://cran.r-project.org/web/packages/OrgMassSpecR/index.html Available under the BSD 2-Clause License elements and formulae ========================= Provides properties for the elements in the periodic table, and functions for parsing formulae and calculating isotope distributions. Calculations are based on the isotopic composition of the elements. Mass deficiency due to chemical bonding is not taken into account. Examples of valid formulae are ``H2O``, ``[2H]2O``, ``CH3COOH``, ``EtOH``, ``CuSO4.5H2O``, and ``(COOH)2``. Formulae are case sensitive. | Based on ChemPy (https://github.com/bjodah/chempy) Copyright (c) 2015-2018, Björn Dahlgren All rights reserved. | Also based on molmass (https://github.com/cgohlke/molmass) Copyright (c) 1990-2020, Christoph Gohlke All rights reserved. Licensed under the BSD 3-Clause License | Also based on Pyteomics (https://github.com/levitsky/pyteomics) Copyright (c) 2011-2015, Anton Goloborodko & Lev Levitsky Licensed under the Apache License


نیازمندی

مقدار نام
- apeye>=0.9.1
- cachecontrol[filecache]>=0.12.6
- domdf-python-tools>=1.1.0
- enum-tools>=0.1.3
- lockfile>=0.12.2
- memoized-property>=1.0.3
latform_syste numpy>=1.19.1;
latform_syste numpy!=1.19.4,>=1.19.3;
- pandas>=1.0.1
- quantities>=0.12.4
- requests>=2.24.0
xtr cawdrey>=0.1.7;
xtr mathematical>=0.1.13;
platform_python_implementatio pillow>=7.0.0;
platform_python_implementatio pillow>=7.0.0;
platform_python_implementatio pillow>=7.0.0;
platform_python_implementatio pillow<9.0.0,>=7.0.0;
platform_python_implementatio pillow<8.0.0,>=7.0.0;
xtr pyparsing>=2.4.6;
xtr tabulate>=0.8.9;
xtr cawdrey>=0.1.7;
xtr mathematical>=0.1.13;
xtr pyparsing>=2.4.6;
xtr tabulate>=0.8.9;
xtr typing-extensions>=4.1.1;
platform_machin matplotlib>=3.0.0;
platform_machin matplotlib<=3.2.2;
xtr beautifulsoup4>=4.7.0;
xtr beautifulsoup4>=4.7.0;
xtr cawdrey>=0.1.7;
xtr mathematical>=0.1.13;
platform_machin matplotlib>=3.0.0;
platform_machin matplotlib<=3.2.2;
platform_python_implementatio pillow>=7.0.0;
platform_python_implementatio pillow>=7.0.0;
platform_python_implementatio pillow>=7.0.0;
platform_python_implementatio pillow<9.0.0,>=7.0.0;
platform_python_implementatio pillow<8.0.0,>=7.0.0;
xtr pyparsing>=2.4.6;
xtr tabulate>=0.8.9;
xtr typing-extensions>=4.1.1;


زبان مورد نیاز

مقدار نام
>=3.6 Python


نحوه نصب


نصب پکیج whl chemistry-tools-0.5.1:

    pip install chemistry-tools-0.5.1.whl


نصب پکیج tar.gz chemistry-tools-0.5.1:

    pip install chemistry-tools-0.5.1.tar.gz