118 projects tagged "Chemistry"
Updated 15 Mar 2002
BioJava
| Pop | 131.69 |
|---|---|
| Vit | 2.39 |
BioJava aims to provide a comprehensive set of Java components for the rapid development of applications in Bioinformatics. It contains interfaces for representing Sequences, Features, and other important bioinformatics concepts. It can also read and write sequence data in a variety of common formats and communicate with Ensembl databases and with DAS and BioCorba servers.
Updated 02 Nov 2004
Cactus
| Pop | 136.69 |
|---|---|
| Vit | 3.53 |
Cactus is a general, modular, parallel environment for solving systems of partial differential equations. The code has been developed over many years by a large international collaboration of numerical relativity and computational science research groups and can be used to provide a portable platform for solving any system of partial differential equations.
Updated 16 Jul 2003
ChemApp
| Pop | 34.38 |
|---|---|
| Vit | 1.19 |
ChemApp is a programming tool from the area of computational thermochemistry. It is a library consisting of a rich set of subroutines, based on the thermodynamic phase equilibrium calculation module of ChemSage. It permits the calculation of complex, multicomponent, multiphase chemical equilibria and their associated energy balances. ChemApp is available as object code for a wide range of platforms and as a shared library/DLL. ChemApp "light" is the free version of ChemApp, and although it is restricted in two ways compared to the regular version, it gives you almost the same functionality.
Updated 16 Feb 2002
Chemsuite
| Pop | 43.77 |
|---|---|
| Vit | 1.53 |
Chemsuite is a set of programs to process chemical information. It includes a 2D/3D molecular drawing, Infrared and NMR processing tools, and chemical reaction simulation (Monte carlo) software for Unix/Linux.
Updated 24 Dec 2011
Chemtool
| Pop | 200.38 |
|---|---|
| Vit | 13.92 |
Chemtool is a GTK+-based 2D chemical structure editor for X11. Drawings can be exported in XFig format for further annotation, or as Postscript files (using xfig's companion program transfig). A set of sample molecular structure drawings is included in the archive.
Updated 30 Jan 2001
EGO
| Pop | 45.66 |
|---|---|
| Vit | 1.00 |
EGO is a program to perform molecular dynamics simulations on parallel as well as on sequential computers. Supported parallel machines include the Hitachi SR8000, CRAY-T3E, IBM-SP2, Fujitsu VPP700, Parsytec-CC under PARIX, and inhomogeneous clusters of UNIX workstations under PVM or MPI. EGO also runs sequentially on any decent UNIX workstation, even Windows95/NT PC's (with a GNU-C compiler) can be used.
Updated 24 Sep 2007
Ghemical
| Pop | 133.03 |
|---|---|
| Vit | 6.98 |
Ghemical is a molecular modelling software package with some nice 3D visualization tools. It supports methods based on both molecular mechanics and quantum mechanics (using MOPAC7, and MPQC for QM). The geometry optimization (for MM and QM) and molecular dynamics (for MM) algorithms are included. Ghemical is written in C++, and hopefully offers a good framework for a generic freeware molecular modelling tool.
Updated 22 Sep 2006
JChemPaint
| Pop | 177.09 |
|---|---|
| Vit | 9.41 |
JChemPaint is a program for drawing 2D chemical structures like those found in most chemistry textbooks.
Updated 01 Oct 2006
Jmol
| Pop | 210.08 |
|---|---|
| Vit | 8.47 |
Jmol is a Free, Open Source molecule viewer and editor. It is a collaboratively developed visualization and measurement tool for chemical scientists. Jmol is an active project, and there are new features being added to it on a daily basis. Users are encouraged to modify it to fit their needs and to contribute their changes to the project.
Updated 17 Feb 2010
KMol
| Pop | 35.92 |
|---|---|
| Vit | 4.18 |
KMol calculates the elemental compositon and molecular weight of compounds from their chemical formula. KMol supports user defined groups and elements, unlimited nesting of subgroups, multicomponent compounds, global and per-user symbol definitions.
