Calculating Chemical Polarity

This code generates the electronic distribution for known chemical elements Platforms: Matlab

The program allows one to choose the best reactor setup among three alternatives: (1) a plug flow reactor with recycle, (2) a combination of a plug flow reactor and a stirred tank reactor in series and (3) two stirred tank reactors in series. This problem was solved graphically by O. Levenspiel... Platforms: Matlab

The GUI application allows the user to enter the parameters of the Antoine equation and then plot vapour pressure of any chemical component versus temperature. Platforms: Matlab

This m-file gives the atomic weight of any element or molecular weight of any chemical species.Input:species = (cell array)The species is the 'formula'.Output:Atomic weight of any element or molecular weight of any chemicalspecies. Platforms: Matlab

This is a complete set of MATLAB codes for calculating effective Pitzer inertias for large amplitude torsions. Specific examples included in the zip file were taken from the publication by Bryan M. Wong, Ryan L. Thom, and Robert W. Field in The Journal of Physical Chemistry A 110, 7406 - 7413... Platforms: Matlab

Science Laboratory Inventory and Orders Management System: more suitable for school's science laboratories to manage stored items (chemical and equipment) and add a way to order them on-line for science lessons and practical experiments. Platforms: PHP

Code for calculating the receiver operator characteristic (ROC) and the area under ROC (AUC). AUC is a measure of prediction accuracy, where anything above 0.5 is better than a random prediction. Platforms: Ruby

* jCompoundMapper provides popular fingerprinting algorithms for chemical graphs such as depth-first search fingerprints, shortest-path fingerprints, extended connectivity fingerprints, autocorrelation fingerprints (e.g. CATS2D), radial fingerprints (e.g. Molprint2D), geometrical Molprint, atom... Platforms: Mac

Java library for easy parsing of pgn files and calculating moves start and end positions. Platforms: Mac

The STP ChemicalDemon program displays a histogram of the energy of a demon that exchanges energy and particles with a one-dimensional lattice of particles. The purpose of this simulation is to understand how the demon acts as an ideal thermometer and ideal measurement of the chemical potential.... Platforms: Mac

EasyChem is designed to draw chemical molecules in an intuitive way, with a very high quality (designed for book-publishing). Exporting is done to various formats (PostScript, Fig, LaTeX, etc.) to help you integrate your drawing in any software you use. Platforms: *nix

A package for calculating ROC curves and Concentrated ROC (CROC) curves written by Dr. S. Joshua Swamidass. Platforms: *nix

Net::DirectConnect::TigerHash - Perl extension for calculating tiger hashes from files or strings Platforms: *nix

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. Platforms: *nix

Zipdy is a program for calculating the distance between two zip codes and finding all the records in a RDBMS with a zip code with x miles of another zip code. Zipdy was written in C but is also available in PHP and perl. Platforms: *nix

Download this easy to use and easy to install website traffic monitoring tool. Get daily reports of all your website traffic and most popular keys. You can see the sites your traffic was referred from, most popular keywords, pages your visitors visited and much more. To install you will need to... Platforms: Windows, *nix, Windows 7, Linux Console, Linux Open Source, Linux Gnome

This is a free Excel Invoice Template that provides a Fill In The Blank invoice form and is capable of calculating and creating invoices. Its what-you-see-is-what-you-get invoice form provides a simple yet effective billing software and invoice software for small businesses. If you know how to... Platforms: Windows

On the face of it, calculating your mortgage or payments would seem like a pretty straightforward exercise but having a calculator specifically built for the job will help you avoid any potential mistakes in your current and future potential income. so please feel free to download this mortgage... Platforms: Windows

Utility to assist in the process of calculating the nutrient requirements of horses. A must for veterinarians and animal support help desks. Students of animal sciences will find this program very useful. Platforms: Windows

dP Pressure Drop Calculator is a scientific tool for calculating the pressure drops of flowing liquids and gases in pipes. It is a straightforward utility used for doing pressure drop calculations for process plants such as oil processing and beer processing. Platforms: Windows