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RDKit
RDKit is open-source toolkit for cheminformatics. It was developed by Greg Landrum with numerous additional contributions from the RDKit open source community. It has an application programming interface (API) for Python, Java Java is one of the Greater Sunda Islands in Indonesia. It is bordered by the Indian Ocean to the south and the Java Sea (a part of Pacific Ocean) to the north. With a population of 156.9 million people (including Madura) in mid 2024, proje ..., C++, and C#. References External links * * {{Chemistry software, state=collapsed Python (programming language) scientific libraries Computational chemistry software ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
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 ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Linux
Linux ( ) is a family of open source Unix-like operating systems based on the Linux kernel, an kernel (operating system), operating system kernel first released on September 17, 1991, by Linus Torvalds. Linux is typically package manager, packaged as a Linux distribution (distro), which includes the kernel and supporting system software and library (computing), libraries—most of which are provided by third parties—to create a complete operating system, designed as a clone of Unix and released under the copyleft GPL license. List of Linux distributions, Thousands of Linux distributions exist, many based directly or indirectly on other distributions; popular Linux distributions include Debian, Fedora Linux, Linux Mint, Arch Linux, and Ubuntu, while commercial distributions include Red Hat Enterprise Linux, SUSE Linux Enterprise, and ChromeOS. Linux distributions are frequently used in server platforms. Many Linux distributions use the word "Linux" in their name, but the Free ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Mac OS X
macOS, previously OS X and originally Mac OS X, is a Unix, Unix-based operating system developed and marketed by Apple Inc., Apple since 2001. It is the current operating system for Apple's Mac (computer), Mac computers. Within the market of Desktop computer, desktop and laptop computers, it is the Usage share of operating systems#Desktop and laptop computers, second most widely used desktop OS, after Microsoft Windows and ahead of all Linux distributions, including ChromeOS and SteamOS. , the most recent release of macOS is MacOS Sequoia, macOS 15 Sequoia, the 21st major version of macOS. Mac OS X succeeded classic Mac OS, the primary Mac operating systems, Macintosh operating system from 1984 to 2001. Its underlying architecture came from NeXT's NeXTSTEP, as a result of NeXT#1997–2006: Acquisition by Apple, Apple's acquisition of NeXT, which also brought Steve Jobs back to Apple. The first desktop version, Mac OS X 10.0, was released on March 24, 2001. Mac ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Microsoft Windows
Windows is a Product lining, product line of Proprietary software, proprietary graphical user interface, graphical operating systems developed and marketed by Microsoft. It is grouped into families and subfamilies that cater to particular sectors of the computing industry – Windows (unqualified) for a consumer or corporate workstation, Windows Server for a Server (computing), server and Windows IoT for an embedded system. Windows is sold as either a consumer retail product or licensed to Original equipment manufacturer, third-party hardware manufacturers who sell products Software bundles, bundled with Windows. The first version of Windows, Windows 1.0, was released on November 20, 1985, as a graphical operating system shell for MS-DOS in response to the growing interest in graphical user interfaces (GUIs). The name "Windows" is a reference to the windowing system in GUIs. The 1990 release of Windows 3.0 catapulted its market success and led to various other product families ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Chemoinformatics
Cheminformatics (also known as chemoinformatics) refers to the use of physical chemistry theory with computer and information science techniques—so called "''in silico''" techniques—in application to a range of descriptive and prescriptive problems in the field of chemistry, including in its applications to biology and related molecular fields. Such ''in silico'' techniques are used, for example, by pharmaceutical companies and in academic settings to aid and inform the process of drug discovery, for instance in the design of well-defined combinatorial libraries of synthetic compounds, or to assist in structure-based drug design. The methods can also be used in chemical and allied industries, and such fields as environmental science and pharmacology, where chemical processes are involved or studied. History Cheminformatics has been an active field in various guises since the 1970s and earlier, with activity in academic departments and commercial pharmaceutical research a ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
BSD License 2
The Berkeley Software Distribution (BSD), also known as Berkeley Unix or BSD Unix, is a discontinued Unix operating system developed and distributed by the Computer Systems Research Group (CSRG) at the University of California, Berkeley, beginning in 1978. It began as an improved derivative of AT&T's original Unix that was developed at Bell Labs, based on the source code but over time diverging into its own code. BSD would become a pioneer in the advancement of Unix and computing. BSD's development was begun initially by Bill Joy, who added virtual memory capability to Unix running on a VAX-11 computer. In the 1980s, BSD was widely adopted by workstation vendors in the form of proprietary Unix distributions such as DEC Ultrix and Sun Microsystems SunOS due to its permissive licensing and familiarity to many technology company founders and engineers. It also became the most popular Unix at universities, where it was used for the study of operating systems. BSD was sponsored by D ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Open-source
Open source is source code that is made freely available for possible modification and redistribution. Products include permission to use and view the source code, design documents, or content of the product. The open source model is a decentralized software development model that encourages open collaboration. A main principle of open source software development is peer production, with products such as source code, blueprints, and documentation freely available to the public. The open source movement in software began as a response to the limitations of proprietary code. The model is used for projects such as in open source appropriate technology, and open source drug discovery. Open source promotes universal access via an open-source or free license to a product's design or blueprint, and universal redistribution of that design or blueprint. Before the phrase ''open source'' became widely adopted, developers and producers used a variety of other terms, such as ''free software'' ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Cheminformatics
Cheminformatics (also known as chemoinformatics) refers to the use of physical chemistry theory with computer and information science techniques—so called "'' in silico''" techniques—in application to a range of descriptive and prescriptive problems in the field of chemistry, including in its applications to biology and related molecular fields. Such '' in silico'' techniques are used, for example, by pharmaceutical companies and in academic settings to aid and inform the process of drug discovery, for instance in the design of well-defined combinatorial libraries of synthetic compounds, or to assist in structure-based drug design. The methods can also be used in chemical and allied industries, and such fields as environmental science and pharmacology, where chemical processes are involved or studied. History Cheminformatics has been an active field in various guises since the 1970s and earlier, with activity in academic departments and commercial pharmaceutical rese ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Application Programming Interface
An application programming interface (API) is a connection between computers or between computer programs. It is a type of software Interface (computing), interface, offering a service to other pieces of software. A document or standard that describes how to build such a connection or interface is called an ''API specification''. A computer system that meets this standard is said to ''implement'' or ''expose'' an API. The term API may refer either to the specification or to the implementation. In contrast to a user interface, which connects a computer to a person, an application programming interface connects computers or pieces of software to each other. It is not intended to be used directly by a person (the end user) other than a computer programmer who is incorporating it into software. An API is often made up of different parts which act as tools or services that are available to the programmer. A program or a programmer that uses one of these parts is said to ''call'' that ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Java (programming Language)
Java is a High-level programming language, high-level, General-purpose programming language, general-purpose, Memory safety, memory-safe, object-oriented programming, object-oriented programming language. It is intended to let programmers ''write once, run anywhere'' (Write once, run anywhere, WORA), meaning that compiler, compiled Java code can run on all platforms that support Java without the need to recompile. Java applications are typically compiled to Java bytecode, bytecode that can run on any Java virtual machine (JVM) regardless of the underlying computer architecture. The syntax (programming languages), syntax of Java is similar to C (programming language), C and C++, but has fewer low-level programming language, low-level facilities than either of them. The Java runtime provides dynamic capabilities (such as Reflective programming, reflection and runtime code modification) that are typically not available in traditional compiled languages. Java gained popularity sh ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
C Sharp (programming Language)
C# ( pronounced: C-sharp) ( ) is a general-purpose high-level programming language supporting multiple paradigms. C# encompasses static typing, strong typing, lexically scoped, imperative, declarative, functional, generic, object-oriented (class-based), and component-oriented programming disciplines. The principal inventors of the C# programming language were Anders Hejlsberg, Scott Wiltamuth, and Peter Golde from Microsoft. It was first widely distributed in July 2000 and was later approved as an international standard by Ecma (ECMA-334) in 2002 and ISO/ IEC (ISO/IEC 23270 and 20619) in 2003. Microsoft introduced C# along with .NET Framework and Microsoft Visual Studio, both of which are technically speaking, closed-source. At the time, Microsoft had no open-source products. Four years later, in 2004, a free and open-source project called Microsoft Mono began, providing a cross-platform compiler and runtime environment for the C# programming language. A decad ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Python (programming Language) Scientific Libraries
Python may refer to: Snakes * Pythonidae, a family of nonvenomous snakes found in Africa, Asia, and Australia ** Python (genus), ''Python'' (genus), a genus of Pythonidae found in Africa and Asia * Python (mythology), a mythical serpent Computing * Python (programming language), a widely used high-level programming language * Python, a native code compiler for CMU Common Lisp * Python, the internal project name for the PERQ#PERQ 3, PERQ 3 computer workstation People * Python of Aenus (4th-century BCE), student of Plato * Python (painter) (ca. 360–320 BCE), vase painter in Poseidonia * Python of Byzantium (4th-century BCE), orator, diplomat of Philip II of Macedon * Python of Catana, poet who accompanied Alexander the Great * Python Anghelo (1954–2014), Romanian graphic artist Roller coasters * Python (Efteling), a roller coaster in the Netherlands * Python (Busch Gardens Tampa Bay), a defunct roller coaster * Python (Coney Island, Cincinnati, Ohio), a steel roller coaster Ve ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
