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Avogadro (software)
Avogadro is a molecule editor and visualizer designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It is extensible via a plugin architecture. Features * Molecule builder-editor for Microsoft Windows, Windows, Linux, Unix, and macOS. * All source code is licensed under the GNU General Public License (GPL) version 2. * Supported languages include: Chinese language, Chinese, English language, English, French language, French, German language, German, Italian language, Italian, Russian language, Russian, Spanish language, Spanish, and Polish language, Polish. * Supports thread (computer science), multi-threaded Rendering (computer graphics), rendering and computation. * Plugin architecture for developers, including rendering, interactive tools, commands, and Python (programming language), Python scripts. * OpenBabel import of files, input generation for multiple computational chemistry packages, X-ray c ...
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GitHub
GitHub () is a Proprietary software, proprietary developer platform that allows developers to create, store, manage, and share their code. It uses Git to provide distributed version control and GitHub itself provides access control, bug tracking system, bug tracking, software feature requests, task management, continuous integration, and wikis for every project. Headquartered in California, GitHub, Inc. has been a subsidiary of Microsoft since 2018. It is commonly used to host open source software development projects. GitHub reported having over 100 million developers and more than 420 million Repository (version control), repositories, including at least 28 million public repositories. It is the world's largest source code host Over five billion developer contributions were made to more than 500 million open source projects in 2024. About Founding The development of the GitHub platform began on October 19, 2005. The site was launched in April 2008 by Tom ...
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Chinese Language
Chinese ( or ) is a group of languages spoken natively by the ethnic Han Chinese majority and List of ethnic groups in China, many minority ethnic groups in China, as well as by various communities of the Chinese diaspora. Approximately 1.39 billion people, or 17% of the global population, speak a variety of Chinese as their first language. Chinese languages form the Sinitic languages, Sinitic branch of the Sino-Tibetan language family. The spoken varieties of Chinese are usually considered by native speakers to be dialects of a single language. However, their lack of mutual intelligibility means they are sometimes considered to be separate languages in a Language family, family. Investigation of the historical relationships among the varieties of Chinese is ongoing. Currently, most classifications posit 7 to 13 main regional groups based on phonetic developments from Middle Chinese, of which the most spoken by far is Mandarin Chinese, Mandarin with 66%, or around 800&nb ...
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X-ray Crystallography
X-ray crystallography is the experimental science of determining the atomic and molecular structure of a crystal, in which the crystalline structure causes a beam of incident X-rays to Diffraction, diffract in specific directions. By measuring the angles and intensities of the X-ray diffraction, a crystallography, crystallographer can produce a three-dimensional picture of the density of electrons within the crystal and the positions of the atoms, as well as their chemical bonds, crystallographic disorder, and other information. X-ray crystallography has been fundamental in the development of many scientific fields. In its first decades of use, this method determined the size of atoms, the lengths and types of chemical bonds, and the atomic-scale differences between various materials, especially minerals and alloys. The method has also revealed the structure and function of many biological molecules, including vitamins, drugs, proteins and nucleic acids such as DNA. X-ray crystall ...
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OpenBabel
Open Babel is a free chemical informatics software designed to facilitate the conversion of Chemical file formats and manage molecular data. It serves as a chemical expert system, widely used in fields such as cheminformatics, molecular modelling, and computational chemistry. Open Babel provides both a comprehensive library and command-line utilities, making it a versatile tool for researchers, developers, and professionals. About Due to the strong relationship to informatics this program belongs more to the category cheminformatics than to molecular modelling. It is available for Windows, Unix, Linux, macOS, and Android. It is free and open-source software released under a GNU General Public License (GPL) 2.0. The project's stated goal is: "Open Babel is a community-driven scientific project assisting both users and developers as a cross-platform program and library designed to support molecular modeling, chemistry, and many related areas, including interconversion of file fo ...
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Python (programming Language)
Python is a high-level programming language, high-level, general-purpose programming language. Its design philosophy emphasizes code readability with the use of significant indentation. Python is type system#DYNAMIC, dynamically type-checked and garbage collection (computer science), garbage-collected. It supports multiple programming paradigms, including structured programming, structured (particularly procedural programming, procedural), object-oriented and functional programming. It is often described as a "batteries included" language due to its comprehensive standard library. Guido van Rossum began working on Python in the late 1980s as a successor to the ABC (programming language), ABC programming language, and he first released it in 1991 as Python 0.9.0. Python 2.0 was released in 2000. Python 3.0, released in 2008, was a major revision not completely backward-compatible with earlier versions. Python 2.7.18, released in 2020, was the last release of ...
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Computation
A computation is any type of arithmetic or non-arithmetic calculation that is well-defined. Common examples of computation are mathematical equation solving and the execution of computer algorithms. Mechanical or electronic devices (or, historically, people) that perform computations are known as ''computers''. Computer science is an academic field that involves the study of computation. Introduction The notion that mathematical statements should be 'well-defined' had been argued by mathematicians since at least the 1600s, but agreement on a suitable definition proved elusive. A candidate definition was proposed independently by several mathematicians in the 1930s. The best-known variant was formalised by the mathematician Alan Turing, who defined a well-defined statement or calculation as any statement that could be expressed in terms of the initialisation parameters of a Turing machine. Other (mathematically equivalent) definitions include Alonzo Church's '' lambda-defin ...
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Rendering (computer Graphics)
Rendering is the process of generating a physically-based rendering, photorealistic or Non-photorealistic rendering, non-photorealistic image from input data such as 3D models. The word "rendering" (in one of its senses) originally meant the task performed by an artist when depicting a real or imaginary thing (the finished artwork is also called a "architectural rendering, rendering"). Today, to "render" commonly means to generate an image or video from a precise description (often created by an artist) using a computer program. A application software, software application or component-based software engineering, component that performs rendering is called a rendering software engine, engine, render engine, : Rendering systems, rendering system, graphics engine, or simply a renderer. A distinction is made between Real-time computer graphics, real-time rendering, in which images are generated and displayed immediately (ideally fast enough to give the impression of motion or an ...
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Thread (computer Science)
In computer science, a thread of execution is the smallest sequence of programmed instructions that can be managed independently by a scheduler, which is typically a part of the operating system. In many cases, a thread is a component of a process. The multiple threads of a given process may be executed concurrently (via multithreading capabilities), sharing resources such as memory, while different processes do not share these resources. In particular, the threads of a process share its executable code and the values of its dynamically allocated variables and non- thread-local global variables at any given time. The implementation of threads and processes differs between operating systems. History Threads made an early appearance under the name of "tasks" in IBM's batch processing operating system, OS/360, in 1967. It provided users with three available configurations of the OS/360 control system, of which Multiprogramming with a Variable Number of Tasks (MVT) ...
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Polish Language
Polish (, , or simply , ) is a West Slavic languages, West Slavic language of the Lechitic languages, Lechitic subgroup, within the Indo-European languages, Indo-European language family, and is written in the Latin script. It is primarily spoken in Poland and serves as the official language of the country, as well as the language of the Polish diaspora around the world. In 2024, there were over 39.7 million Polish native speakers. It ranks as the sixth-most-spoken among languages of the European Union. Polish is subdivided into regional Dialects of Polish, dialects. It maintains strict T–V distinction pronouns, Honorifics (linguistics), honorifics, and various forms of formalities when addressing individuals. The traditional 32-letter Polish alphabet has nine additions (, , , , , , , , ) to the letters of the basic 26-letter Latin alphabet, while removing three (x, q, v). Those three letters are at times included in an extended 35-letter alphabet. The traditional set compri ...
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Spanish Language
Spanish () or Castilian () is a Romance languages, Romance language of the Indo-European languages, Indo-European language family that evolved from the Vulgar Latin spoken on the Iberian Peninsula of Europe. Today, it is a world language, global language with 483 million native speakers, mainly in the Americas and Spain, and about 558 million speakers total, including second-language speakers. Spanish is the official language of List of countries where Spanish is an official language, 20 countries, as well as one of the Official languages of the United Nations, six official languages of the United Nations. Spanish is the world's list of languages by number of native speakers, second-most spoken native language after Mandarin Chinese; the world's list of languages by total number of speakers, fourth-most spoken language overall after English language, English, Mandarin Chinese, and Hindustani language, Hindustani (Hindi-Urdu); and the world's most widely spoken Romance language ...
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Russian Language
Russian is an East Slavic languages, East Slavic language belonging to the Balto-Slavic languages, Balto-Slavic branch of the Indo-European languages, Indo-European language family. It is one of the four extant East Slavic languages, and is the native language of the Russians. It was the ''de facto'' and ''de jure'' De facto#National languages, official language of the former Soviet Union.1977 Soviet Constitution, Constitution and Fundamental Law of the Union of Soviet Socialist Republics, 1977: Section II, Chapter 6, Article 36 Russian has remained an official language of the Russia, Russian Federation, Belarus, Kazakhstan, Kyrgyzstan, and Tajikistan, and is still commonly used as a lingua franca in Ukraine, Moldova, the Caucasus, Central Asia, and to a lesser extent in the Baltic states and Russian language in Israel, Israel. Russian has over 253 million total speakers worldwide. It is the List of languages by number of speakers in Europe, most spoken native language in Eur ...
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Italian Language
Italian (, , or , ) is a Romance language of the Indo-European language family. It evolved from the colloquial Latin of the Roman Empire. Italian is the least divergent language from Latin, together with Sardinian language, Sardinian. It is spoken by about 68 million people, including 64 million native speakers as of 2024. Italian is an official language in Languages of Italy, Italy, Languages of San Marino, San Marino, Languages of Switzerland, Switzerland (Ticino and the Grisons), and Languages of Vatican City, Vatican City; it has official Minority language, minority status in Minority languages of Croatia, Croatia, Slovene Istria, Romania, Bosnia and Herzegovina, and the municipalities of Santa Teresa, Espírito Santo, Santa Tereza, Encantado, Rio Grande do Sul, Encantado, and Venda Nova do Imigrante in Languages of Brazil#Language co-officialization, Brazil. Italian is also spoken by large Italian diaspora, immigrant and expatriate communities in the Americas and Austral ...
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