21 projects tagged "Chemistry"
Updated 02 Nov 2004
Cactus
| Pop | 136.29 |
|---|---|
| Vit | 3.52 |
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 30 Jan 2001
EGO
| Pop | 45.63 |
|---|---|
| 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 22 May 2011
Chemistry Development Kit
| Pop | 128.80 |
|---|---|
| Vit | 13.26 |
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.
Updated 10 Jul 2009
Open Babel
| Pop | 106.59 |
|---|---|
| Vit | 5.67 |
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.
Updated 25 Jan 2003
Kemistry
| Pop | 15.43 |
|---|---|
| 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.
Updated 08 Mar 2004
GenChemLab
| Pop | 37.13 |
|---|---|
| Vit | 2.76 |
GenChemLab is an OpenGL-based application intended to simulate several common general chemistry laboratory exercises. It is meant to be used to help students prepare for actual lab experience. Supported experiments include titration, calorimetry, freezing point depression, vapor pressure, electrochemistry, and spectrophotometry.
Updated 08 Jul 2003
GraphPak for Qt
| Pop | 46.04 |
|---|---|
| Vit | 1.00 |
GraphPak is a programming library of 2D and 3D charting objects for the Qt toolkit. It provides software developers with a set of C++ objects to easily create charts or graphs that aid in the visual presentation of technical and business data. This release includes Bar, Line, Pie, Ring, Area, Hi-Lo, Box and Whisker, and Polar charts. It is based on the KD Chart product from Klarälvdalens Datakonsult AB.
Updated 29 Sep 2011
Gabedit
| Pop | 62.37 |
|---|---|
| Vit | 7.72 |
Gabedit is a graphical interface for the FireFly, Gamess-US, Gaussian, Molcas, Molpro, MPQC, NWChem, OpenMopac, ORCA, and Q-Chem computational chemistry packages. It includes a 3D molecule editor and viewer. Most major molecular file formats are supported, and graphics can be exported in many formats.
Updated 24 Feb 2011
Bioinformatics Benchmark System
| Pop | 30.50 |
|---|---|
| Vit | 1.00 |
The Bioinformatics Benchmark System is an attempt to build a reasonable testing framework, tests, and data, to enable end users and vendors to probe the performance of their systems. It is not trying to be the last word in informatics benchmarking, as there are simply too many codes, tests, data sets, and databases. The goal is to create a core of tests that all may download and use to probe specific elements of system performance. The end goal is to enable a pluggable set of tests, including the core tests, so that performance data may be gathered.
Updated 27 Oct 2005
JFDraw
| Pop | 129.98 |
|---|---|
| Vit | 4.02 |
JFDraw is a Java vector graphics drawing application and library package. It is focused on vector graph drawing field. It is useful for mechanical, electronic, architectural graph drawing applications, or even business process or workflow graphs.
