Calculating Chemical Polarity

Cantera is a suite of object-oriented software tools for problems involving chemical kinetics, thermodynamics, and/or transport processes. It can be used from MATLAB, Python, C++, or Fortran. Platforms: Windows, Mac, Linux

Cocoa/Objective-C chemical analysis and computation program; includes gas laws, solutions/solubility, stoichiometry, periodic tables, et alii. Platforms: Mac

CDL provides a generic C++ framework to write algorithms for the calculation of molecular descriptors. CDL provides efficient substructure search, fingerprints and pharmacophore algorithms, and many more for the calculation molecular descriptors. Platforms: Windows, Mac, Linux

chemicalInventory is a chemical intelligent tool for managing chemical inventories.Main features: Find chemicals via substructure or text searches. Manage container and shelf locations, check containers in and out or transfer containers between users. Platforms: Windows, Mac, Linux

A Molecular Chemical Viewer using OpenGL and Platform independent provided for the study of Chemicals, including physical, chemical and visual properties. Platforms: Windows, Mac, BSD, Linux

A Java program to parse chemical names using IUPAC nomenclature. The output can be either a visualisation of the molecule, or in a form for other programs to use (e.g. CML). Platforms: Windows, Mac, Linux

ChemProV is a tool used by chemical engineering students to solve material balance problems. The project is maintained by Washington State University. For more information on how to install ChemProV, please visit the project's website. Platforms: Windows, Mac, Linux

The ChemSense Studio software supports the creation and sharing of text, images, graphs, drawings, and storyboard animations of chemical processes. The ChemSense Animator can be run as a separate, stand-alone application. See http://chemsense.sri.com Platforms: Windows, Mac, Linux

DRCS (Dimensionless Reaction Coordinate Software) calculates a dimensionless reaction coordinate for chemical reactions that can be used to classify transition states (and other geometries along a reaction path) as either early or late. Platforms: Windows, Mac, Linux

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: Windows, Mac, BSD, Linux

The Film Stock Calculator is an application for calculating the film stock footage and cost for a film. Platforms: Windows, Mac, Linux

This is a Hash Calculating tool that calculates MD2,MD5,SHA-1,SHA-256,SHA-384,SHA-512 hash of text or a file. This has GUI developed in java swings.All it needs is sun jre installed. Platforms: Windows, Mac, Linux

IceIDS is heuristic Network Intrusion Detection System (NIDS) based on calculating Student's distributions of network traffic. Platforms: Mac

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

iso2l (ˈaisəutuːl, spoken isotool) is a software to calculate the isotopic distribution of a chemical formula or a amino acid chain. Platforms: Windows, Mac, Linux

Janocchio is an application or applet for viewing 3D molecular structures and calculating NMR couplings and NOEs Platforms: Windows, Mac, Linux

JBioFramework (JBF) is a set of simulations of three different chemical separations applications (ion exchange chromatography, 1D electrophoresis and 2D electrophoresis) that are frequently used in chemistry, biochemistry and proteomics research. Platforms: Windows, Mac, Linux

Java Native Interface wrapper for the IUPAC International Chemical Identifier (InChI) Platforms: Windows, Mac, Linux

The JPAT API is a Java API designed to provide developers with tools for calculating the results of protease digestion of proteins and ms/ms fragmentation of peptides. JPAT also contains GUI components for displaying the results. JPAT is a nice way to get Platforms: Windows, Mac, Linux

jVisualizer is a graphical tool to visualize and analyse first-order coppling patterns found in NMR-spectroscopy; additional you can type in chemical shifts from an experiment to calculate coupling constants Platforms: Windows, Mac, Linux