GithubHelp home page GithubHelp logo

mohebifar / openbabel Goto Github PK

View Code? Open in Web Editor NEW

This project forked from openbabel/openbabel

0.0 2.0 0.0 36.8 MB

Open Babel is a chemical toolbox designed to speak the many languages of chemical data.

Home Page: http://openbabel.org/

License: GNU General Public License v2.0

C 49.96% Perl 0.18% C++ 46.37% Shell 0.10% XSLT 0.01% Python 1.11% Objective-C 2.10% R 0.01% Java 0.01% PHP 0.12% Ruby 0.02% Scala 0.01% C# 0.01%

openbabel's Introduction

Open Babel README version 2.3.0

Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It's an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas.

  • Ready-to-use programs, and complete programmer's toolkit
  • Read, write and convert over 90 chemical file formats
  • Filter and search molecular files using SMARTS and other methods
  • Generate 2D and 3D coordinates for SMILES, InChI and other formats
  • Supports molecular modeling, cheminformatics, bioinformatics, organic chemistry, inorganic chemistry, solid-state materials, nuclear chemistry...

Open Babel is distributed under the GNU General Public License (GPL). This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation version 2 of the License. Full details can be found in the file "COPYING" which should be included in your distribution.

For more information, check the [Open Babel website]( <http://openbabel.org/).

openbabel's People

Contributors

ghutchis avatar baoilleach avatar timvdm avatar chrismorl avatar reinis avatar mbanck avatar cryos avatar mcs07 avatar jbrefort avatar annulen avatar patrickfuller avatar cjames53 avatar bjacob avatar petermr avatar mwojcikowski avatar kebekus avatar orex avatar jiahao avatar cstein avatar synss avatar leeping avatar fredrikw avatar cowsandmilk avatar kgs-rastede avatar serval2412 avatar ktns avatar sengels avatar bleblancmd avatar khoran avatar swamidass avatar

Watchers

Mohamad Mohebifar avatar  avatar

Recommend Projects

  • React photo React

    A declarative, efficient, and flexible JavaScript library for building user interfaces.

  • Vue.js photo Vue.js

    ๐Ÿ–– Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.

  • Typescript photo Typescript

    TypeScript is a superset of JavaScript that compiles to clean JavaScript output.

  • TensorFlow photo TensorFlow

    An Open Source Machine Learning Framework for Everyone

  • Django photo Django

    The Web framework for perfectionists with deadlines.

  • D3 photo D3

    Bring data to life with SVG, Canvas and HTML. ๐Ÿ“Š๐Ÿ“ˆ๐ŸŽ‰

Recommend Topics

  • javascript

    JavaScript (JS) is a lightweight interpreted programming language with first-class functions.

  • web

    Some thing interesting about web. New door for the world.

  • server

    A server is a program made to process requests and deliver data to clients.

  • Machine learning

    Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.

  • Game

    Some thing interesting about game, make everyone happy.

Recommend Org

  • Facebook photo Facebook

    We are working to build community through open source technology. NB: members must have two-factor auth.

  • Microsoft photo Microsoft

    Open source projects and samples from Microsoft.

  • Google photo Google

    Google โค๏ธ Open Source for everyone.

  • D3 photo D3

    Data-Driven Documents codes.