Chemical Oxidizers

A Molecular Chemical Viewer using OpenGL and Platform independent provided for the study of Chemicals, including physical, chemical and visual properties.

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).

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

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

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

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

A high-performance simulation package for sampling the chemical and reaction-diffusion master equations. Primarily intended for running stochastic simulations of microbial cells.


Platforms: Mac, Linux

MCDL is a small Java molecular viewer/editor for chemical structures, stored in Modular Chemical Descriptor Language linear notation. Features include accurate structure diagram generation, and Kekule chemical structure creation from aromatic bond list.


Platforms: Windows, Mac, Linux

MesoRD is a stochastic and deterministic simulator of coupled chemical reactions and diffusions in space.


Platforms: Windows, Mac, BSD, Solaris, Linux

Metmask is a tool written in python for managing chemical identifiers for metabolomics experiments. It can incorporate identifiers from local textfiles, several online databases, query PubChem and record all found associations in a local sqlite database.


Platforms: Windows, Mac, Linux

Given the chemical formula, MolWgt calculates the molecular weight of a substance.


Platforms: Mac, BSD, Linux

NMRShiftDB is an open-source, open-access, open-submission, open-content web database for chemical structures and their nuclear magnetic resonance data.


Platforms: Windows, Mac, Linux

This project going to develop a thermodinamical server for chemical simulation, equip design, scientific module for other aplication or chemical education. Also the thermo server is developed to complete the project of chemical simulation Sim42.Spanish


Platforms: Windows, Mac, Linux

Web-based Electronic Laboratory Notebook (ELN) with integrated Chemical Inventory by the group of Prof. Goossen (TU Kaiserslautern, Germany), based on PHP/MySQL. Allows (sub-)structure search, reaction planning, management of spectra and literature.


Platforms: Windows, Mac, Linux

OpenChem Workbench is an enterprise software suite designed for creating, saving, searching, and exchanging chemical data. It uses existing tools (NIST, Gaussian, CHEMKIN) and its own (easy molecule building, mechanism management, group additivity, etc.)


Platforms: Windows, Mac, Linux

The OptControlCentre (OCC) is an user-friendly software package for the optimization of dynamic systems in energy and chemical engineering. Optimization methods include SQP methods as well as a stochastic approach using Simulated Annealing.


Platforms: Windows, Mac, Linux