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Open Babel

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  Analyzed 11 months ago

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.

723K lines of code

19 current contributors

about 1 year since last commit

16 users on Open Hub

Activity Not Available
4.71429
   
1 Review
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Mostly written in C++
Licenses: gpl
Tags bio_informatics c++ cheminformatics chemistry code framework molecular_science research

Avogadro

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  Analyzed 11 months ago

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.

174K lines of code

0 current contributors

over 3 years since last commit

13 users on Open Hub

Activity Not Available
4.85714
   
0 Reviews
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Mostly written in C++
Licenses: gpl
Tags bio-informatics c++ cheminformatics chemistry editor kde molecular_science qt research visualization

Jmol

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  No analysis available

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.

0 lines of code

0 current contributors

0 since last commit

12 users on Open Hub

Activity Not Available
4.0
   
0 Reviews
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Mostly written in language not available
Licenses: lgpl
Tags bio-informatics bioinformatics cheminformatics chemistry computer_aided_instruction java molecular_science research visualization

JChemPaint Applet and Swing Application

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  Analyzed 11 months ago

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

41.5K lines of code

0 current contributors

over 19 years since last commit

5 users on Open Hub

Activity Not Available
4.0
   
1 Review
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Mostly written in XSL Transformation
Licenses: lgpl
Tags bio-informatics chemistry human_machine_interfaces java molecular_science text_processing unix_talk visualization

cclib

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  Analyzed 11 months ago

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 computational chemistry package * to provide a ... [More] 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]

127K lines of code

14 current contributors

12 months since last commit

5 users on Open Hub

Activity Not Available
5.0
 
0 Reviews
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Mostly written in JavaScript
Licenses: gpl
Tags cheminformatics chemistry computational_chemistry library molecular_science python quantumchemistry research

JOELib

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  Analyzed 11 months ago

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.

180K lines of code

0 current contributors

almost 18 years since last commit

3 users on Open Hub

Activity Not Available
4.5
   
1 Review
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Mostly written in Java
Licenses: gpl
Tags bio-informatics cheminformatics chemistry code framework java molecular_science research

QuteMol

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  Analyzed 11 months ago

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 aimed at improving clarity and an easier understanding ... [More] 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]

5.96K lines of code

0 current contributors

over 17 years since last commit

2 users on Open Hub

Activity Not Available
0.0
 
0 Reviews
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Mostly written in C++
Licenses: gpl
Tags 3d 3d_rendering bio-informatics bioinformatics c++ cheminformatics chemistry molecular_science research visualization

IntAct

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  Analyzed 11 months ago

IntAct is an open source package to store and manipulate molecular interaction data.

40.2K lines of code

0 current contributors

over 18 years since last commit

1 users on Open Hub

Activity Not Available
5.0
 
0 Reviews
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Mostly written in Java
Licenses: apache_2
Tags bio-informatics bioinformatics molecular_science proteomics

RDKit

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  Analyzed 11 months ago

A collection of cheminformatics and machine-learning software written in C++ and Python.

1.27M lines of code

0 current contributors

11 months since last commit

1 users on Open Hub

Activity Not Available
0.0
 
0 Reviews
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Mostly written in C++
Licenses: BSD-3-Clause, gpl
Tags bio-informatics bioinformatics c++ cheminformatics chemistry chemoinformatics molecular_science python

Open Chemistry

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  Analyzed 11 months ago

The Open Chemistry project is a collection of open source, cross platform libraries and applications for the exploration, analysis and generation of chemical data. The project builds upon various efforts by collaborators and innovators in open chemistry such as the Blue Obelisk, Quixote and the ... [More] associated projects. We aim to improve the state of the art, and facilitate the open exchange of ideas and exchange of chemical data leveraging the best technologies ranging from quantum chemistry codes, molecular dynamics, informatics and visualization. [Less]

199K lines of code

10 current contributors

12 months since last commit

1 users on Open Hub

Activity Not Available
0.0
 
0 Reviews
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Mostly written in C++
Licenses: BSD-3-Clause
Tags c++ cheminformatics chemistry cmake framework molecular_science research