Chemistry
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ChemE Numerical Library ChemE aims to be a library for performing analytical operations specific to chemical engineering.
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spcview The software "SPCView" is used for XRF qualitative analysis of various substances with "SPECTROSCAN MAKC" spectrometers.
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Python Thermodynamics Modules This project aims to create free Thermodynamics modules for Python. First step is porting IAPWS IF97 Steam and Water properties provided by X Steam (http://www.x-eng.com) from Matlab/Scilab/Visual Basic to Python.
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Blueprint XAS Blueprint XAS is a Matlab-based suite designed for the processing and analysis of near-edge x-ray absorption spectroscopy (XAS) data. The suite is designed primarily to assist users in exploring reasonable fit solutions while minimizing user bias.
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Chemistry Utility Programs C++ project that contains a number of useful cheminformatics programming classes.
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chemfem chemfem is a high order finite element method that can solve general partial differential equations and the reacting Navier Stokes equations in particular.
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ChemBot Extensible 3-dimensional chemical reaction modeling tool that utilizes the known scientific rules and theorems to predict complex molecular reactions on an organismal level. Will serve as a starting point for developing a simulated organism.
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ChemMap A Molecular Chemical Viewer using OpenGL and Platform independent provided for the study of Chemicals, including physical, chemical and visual properties.
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Extended Bioaccumulation Framework Extended Bioaccumulation Framework (ExBAF) is a tool for assessing bioaccumulation in foodwebs. Supports several bioaccumulation models and provides tools for analysis and visualization.
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Kemistry A collection of chemistry related software for the KDE Desktop Environment (release 3.0)
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OPEN GENERAL SCIENTIFIC INTERFACES OPEN GENERAL SCIENTIFIC INTERFACES homepage : http://www.opengsi.org
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Openbabel Extensions OBExtensions is a extension library for the chemoinformatics library Openbabel. It provides extensions to Openbabel, being mostly GUI widgets. OBExtensions has a 2D/3D viewer, 2D coordinates generator and some other extensions.
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Structure Structure is a framework for two-dimensional molecular visualization written in Java and based on Octet.
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TDRSP TDRSP is a tool package solving the equation of motion of reduced single-electron density matrix in the framework of Hartree-Fock or density functional theory in time domain.
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The Gavrog Project This project has moved. Please follow the WWW link below.
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The Nodes for KNIME project The Nodes4KNIME project is an open source initiative to develop independant nodes for use with the KNIME datamining and workflow project. See http://www.knime.org/
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is-sfe Information System "Supercritical Fluid Extraction"
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ARGonWin - Automatic Retrosynthesis ARGonWin - Automatic retrosynthesis generator on (X)Windows: COMPUTERASSISTED ORGANIC SYNTHESIS / Chemoinformatics package to propose a chemical synthesis for an organic compound given its structural formula. (C++ XWindows/MSWindows). Based on OpenBabel.
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C++ version Object-oriented rewrite of the wavepacket package.
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CARMEL 'CARbon MEchanics Lab' CARMEL is a suit of parallel codes designed to perform classical molecular dynamics simulations of atomic and ionic systems Potentials : Lennard Jones, Yukawa, Tersoff Bond order Integrators : NPT, NVT, NVE
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ChemClipse Provide the chemical world with a frontend for entering and managing chemical data. This frontend will be made with the Eclipse Rich Client Platform. Additionally a Server component will be developed for storing and retrieving the data.
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ChemFormatter_OpenOffice A Chemistry Formatter plug-in for the Open Office Suite based on, and drawn heavily from, the Chemistry Formatters by Dr. King of Troy University for the Microsoft(TM) Office Suite.
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Chemical Equation Balancer This project is intended to be used as a tool for chemistry students to automatically balance chemical equations by computing the correct reactant and product coefficients.
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Chemical Equilibrum PyChemEq is an Open Source project which goal is to simulate chemical equilibrums. It provides classes (that are the project's "kernel" ) and a user interface using PyGtk and Glade. The whole project will be written in Python.
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Enjekt! Fuel Injection Enjekt! is a unique Java/C based fuel injection system for aircooled Volkswagens. Enjekt! uses software models to control fuel injection instead of relying static look up tables.
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