Volatility Chemistry

GDIS is a scientific visualization program for the display, manipulation, and analysis of isolated molecules and periodic structures. It is in development, but is nonetheless quite functional. It has the following features: * Support for many common file formats (CIF, PDB, XTL, XYZ, and many...

This submission provides functions (and examples scripts) for estimation, simulation and forecasting of a general Markov Regime Switching Regression. Features of the package:- Support for univariate and multivariate models.- Support of any number of states and any number of explanatory...

ChemToolBox, the swiss army knife of the lab worker, is a freeware which contains numerous scientific data very useful in a laboratory. Thanks to its own database, ChemToolBox will easily substitute to the time-consuming use of scientific books (such as Handbooks) or online databases....


Platforms: Windows

Jmol is a free, open source molecule viewer for students, educators, and researchers in chemistry and biochemistry. It is cross-platform, running on Windows, Mac OS X, and Linux/Unix systems. * The JmolApplet is a web browser applet that can be integrated into web pages. * The Jmol application...


Platforms: *nix

Synergy Creations Periodic Table 4 is a versatile chemistry reference tool for your Macintosh that takes the periodic table beyond the simple paper periodic table found in so many textbooks and classrooms. Packed with data and easy to use features, Periodic Table 4 is superb for chemists and...


Platforms: Mac

The Chemistry Development Kit (CDK) is a scientific, LGPL-ed library for bio- and cheminformatics and computational chemistry written in Java.


Platforms: Windows, Mac, Linux

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. * Ready-to-use...


Platforms: Windows, Mac, *nix, C/C++, BSD

1 Introduction PLS-DA for data analysis in chemistry and OMICS studies. Also included in this package are 3 variable selection methods: 1) target projection (TP) 2) competitive adaptive reweighted sampling (CARS) 3) subwindow permutation analysis (SPA). SPA is based on model pupulation analysis...


Platforms: Matlab

The two programs computes residue curve maps for the methyl acetate and isopropyl acetate chemistries at atmospheric pressure. These calculations involve solving a complex system of differential algebraic equations (DAEs). This can be readily achieved using the built-in function of MatLab,...


Platforms: Matlab

It connects and retrieves data from the Yahoo! finance service.The program uses daily closing prices in the calculations.If not specified, the program defaults to N=20 previous trading days.The user may supply either a single ticker symbol or a cell array of ticker symbols.Using the supplied N,...


Platforms: Matlab

JPhysChem - a mathematical modeling toolbox designed to provide an abstract layer and a comprehensive graphical front-end for general model building and specific modeling and data processing in the field of mass spectrometry and physical chemistry.


Platforms: Windows, Mac, Linux

MacMolPlt is a Chemistry visualization tool that can be used to build molecules with an integrated graphical model builder, create input files for the GAMESS computational chemistry program, and then visualize the results of computational chemistry runs. Features include a high-quality 3D...


Platforms: Mac

ChemSpider Search is a useful Safari extension for viewing chemical structure images without leaving the current site. Right-click on any compound name, drug name or chemical formula and choose "Search in ChemSpider" to see an image of the chemical structure. Then just click the "View" button to...


Platforms: Windows

A GUI program written in Perl and utilizing Tk that is meant to solve equations commonly found in math and science. Current equation set is based upon High School Geometry, Algebra II, Trigonometry, and Chemistry with more to come.


Platforms: Windows, Mac, Linux

StoichTools comprises a set of Matlab functions for doing stoichiometric analysis. These functions parse standard chemical notation for a variety of stoichiometric calculations including finding molecular weights, balancing reactions for atom and charge conservation, finding independent...


Platforms: Matlab

This is a LaTeX package to realise ball and spoke (ball and stick) models used in Chemistry, Physics or other Material Sciences using PGF/TikZ


Platforms: Windows, Mac, BSD, Linux

An editor for small organic molecules, written in C using gtk+. It can read and write SMILES and cml and can save to dia's file format. It is suitable for creating chemical molecule diagrams for lower level chemistry/ochem lab reports.


Platforms: Windows, Mac, Linux

Quantum Chemistry Import Tool is a django application that parses the output file of quantum chemistry software as NWChem, Octopus, Gaussian, etc. The result can be saved in relational database.


Platforms: Windows, Mac, Linux

Viewmol is a graphical front end for computational chemistry programs. It is able to graphically aid in the generation of molecular structures for computations and to visualize their results.


Platforms: Mac, BSD, Linux

The CCP1GUI project aims to develop a free, extensible Graphical User Interface to various computational chemistry codes developed by the worldwide academic community, with an emphasis on ab initio Quantum Chemistry codes.


Platforms: Windows, Mac, Linux