Projects tagged ‘chemistry’

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Projects tagged ‘chemistry’

Filtered by Project Tags chemistry

Refine results Project Tags cheminformatics (15) c++ (11) molecular_science (11) bio-informatics (11) research (11) java (8) visualization (7) python (7) bioinformatics (6) chemoinformatics (6) framework (4) qt (4)

[27 total ]
10

Kalzium

   
Primary Language: C++ Licensed as: GNU General Public License 2.0 or later

Kalzium is an application which will show you some information about the periodic system of the elements. Therefore you could use it as an information database. It also includes an equation solver and 3D viewer for molecules.

Metrics updated 06 Oct 08

9

Jmol

   
Primary Language: Java Licensed as: GNU Lesser General Public License 2.1

Jmol is a Java molecular viewer for three-dimensional chemical structures. Features include reading a variety of file types and output from quantum chemistry programs, and animation of multi-frame files and computed normal modes from quantum programs.

Metrics updated 16 Sep 08

8

Open Babel

 
Primary Language: C Licensed as: GNU General Public License 2.0

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.

Metrics updated 12 Oct 08

6

The Chemistry Development Kit

   
Primary Language: Java Licensed as: GNU Lesser General Public License 2.1

The Chemistry Development Kit (CDK) is a library of Java classes for chemo-, bioinformatics, computational chemistry, and chemometrics. It provides important algorithms like substructure search, SMILES, Gasteiger charges, QSAR descriptor calculation, 3D structure generation, 2D layout and rendering, many IO formats, atom typing, and more.

Metrics updated 07 Aug 08

5

Avogadro

 
Primary Language: C++ Licensed as: GNU General Public License 2.0

Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible rendering and a powerful plugin architecture.

Metrics updated 11 Oct 08

4

Bioclipse

   
Primary Language: Java Licensed as: Eclipse Public License

The Bioclipse project is aimed at creating a Java-based, open source, visual platform for chemo- and bioinformatics based on the Eclipse Rich Client Platform (RCP). Bioclipse, as any RCP application, is based on a plugin architecture that inherits ... [More] basic functionality and visual interfaces from Eclipse, such as help system, software updates, preferences, cross-platform deployment etc. [Less]

Metrics updated 06 Oct 08

4

JChemPaint

   
Primary Language: XSL Transformation Licensed as: GNU Lesser General Public License 2.1

JChemPaint is a program for drawing 2D chemical structures like those found in most chemistry textbooks.

Metrics updated 10 Oct 08

3

JOELib

   
Primary Language: Java Licensed as: GNU General Public License 2.0

JOELib/JOELib2 is a cheminformatics library which supports SMARTS substructure search, descriptor calculation, processing/filtering pipes, conversion of file formats, 100% pure Java, and interfaces to external programs (e.g. Ghemical) are available.

Metrics updated 12 Oct 08

2

QuteMol

 
Primary Language: C++ Licensed as: GNU General Public License 2.0

QuteMol is an open source (GPL), interactive, high quality molecular visualization system. QuteMol exploits the current GPU capabilities through OpenGL shaders to offers an array of innovative visual effects. QuteMol visualization techniques are ... [More] aimed at improving clarity and an easier understanding of the 3D shape and structure of large molecules or complex proteins. * Real Time Ambient Occlusion * Depth Aware Silhouette Enhancement * Ball and Sticks, Space-Fill and Liquorice visualization modes * High resolution antialiased snapshots for creating publication quality renderings * Automatic generation of animated gifs of rotating molecules for web pages animations * Interactive rendering of large molecules and protein (>100k atoms) * Standard PDB input [Less]

Metrics updated 10 Oct 08

2

cclib

 
Primary Language: Python Licensed as: GNU General Public License 2.0

cclib is an open source library, written in Python, for parsing and interpreting the results of computational chemistry packages. The goals of cclib are: * to facilitate the implementation of algorithms that are not specific to a particular ... [More] computational chemistry package * to provide a simple and standard interface to the results of computational chemistry calculations, particularly those results that are useful for algorithms or visualisation * to maximise interoperability with other open source computational chemistry and cheminformatic software libraries [Less]

Metrics updated 12 Oct 08

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