121 projects tagged "Chemistry"

Download Website Updated 22 May 2011 Chemistry Development Kit

Pop 109.84
Vit 11.28

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.

Download Website Updated 06 Jan 2002 S2000

Pop 10.77
Vit 67.27

S2000 is a Linux driver for the OceanOptics Spectrometer S2000 in combination with the ADC500 A/D Converter. Some users reported that it also works with the PC2000 or ADC1000.

Download Website Updated 10 Jul 2009 Open Babel

Pop 94.16
Vit 5.27

Open Babel is a community-driven scientific project including both cross-platform programs and a developer library designed to support molecular modeling, chemistry, and many related areas, including interconversion of file formats and data.

No download No website Updated 03 Mar 2007 JOELib/JOELib2

Pop 66.86
Vit 8.63

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

Download Website Updated 16 Jul 2007 Biomolecule Toolkit

Pop 31.75
Vit 3.23

The Biomolecule Toolkit is an Open Source library for the structural modeling of biological macromolecules. The toolkit provides a C++ interface for common tasks in computational structural biology, to facilitate the development of molecular modeling, design, and analysis tools.

Download Website Updated 25 Jan 2003 Kemistry

Pop 14.00
Vit 1.44

Kemistry is a collection of chemistry applications written for the K Desktop Environment. Most of the applications are simply ports to KDE of existing X11 applications.

Download Website Updated 07 Jan 2010 BKChem

Pop 89.08
Vit 12.44

BKChem is a chemical drawing program.

No download Website Updated 28 Apr 2014 Fityk

Pop 490.49
Vit 82.38

Fityk is nonlinear curve-fitting and data analysis software. It allows data visualization, separation of overlapping peaks, and least squares fitting using standard Levenberg-Marquardt algorithm, a genetic algorithm, or Nelder-Mead simplex method. It knows about many functions (mostly bell-shaped, like Gaussian, Loretzian, Pearson 7, Voigt, Pseudo-Voigt, and Doniach-Sunjic) and user-defined functions can be easily added. It also enables background subtracting, data calibration, and task automation with a simple script language. It is mainly used to analyze powder diffraction patterns, chromatography, photoluminescence, infrared, and Raman spectroscopy, but it can be used to fit analytical functions to any kind of data.

Download Website Updated 11 Jul 2007 gperiodic

Pop 58.97
Vit 4.04

gperiodic is a program for browsing the periodic table and looking up data for different elements. It also features a non-graphical interface.

Download No website Updated 26 Mar 2003 GKrellF@H

Pop 13.56
Vit 1.00

GKrellF@H is a GKrellM 1.2.x plugin to monitor the Folding@Home client. It can be configured to display the name of the molecule being folded, the download time of the work unit, and the progress through the work unit. It supports starting and stopping the Folding@Home client and will optionally run a command when a work unit completes.


Project Spotlight


A video to GIF converter.


Project Spotlight


An alternate POSIX capabilities library.