Chemistry Software


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Chemistry Software

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  • DWSIM - Open Source Process Simulator Icon

    DWSIM - Open Source Process Simulator

    Simulate chemical processes using advanced thermodynamic models

    DWSIM is an open source, CAPE-OPEN compliant chemical process simulator for Windows, Linux and macOS systems. Written in VB.NET and C#, DWSIM features a comprehensive set of unit operations, advanced thermodynamic models, support for reacting systems, petroleum characterization tools and a fully-featured graphical interface.

    Downloads: 540 This Week Last Update: See Project
  • Scaffold Hunter Icon

    Scaffold Hunter

    Scaffold Hunter is a JAVA-based software tool for the analysis of structure-related biochemical data. It enables generation of and navigation in a scaffold tree hierarchy annotated with various data.

  • CueMol Icon


    CueMol - Molecular Visualization Framework

    CueMol - Molecular Visualization Framework based on OpenGL, Mozilla XULRunner, and javascript

    Downloads: 29 This Week Last Update: See Project
  • Spectra processing and analysis tools Icon

    Spectra processing and analysis tools

    SpecTools - an OpenSource software package for quant. spectra analysis

    Automated Quantitative Spectroscopic Analysis Combining Background Subtraction, Cosmic-Ray Removal and Peak Fitting programmed in LabVIEW. Current version 1.1.0. Binaries and source available.

  • Ascalaph Designer Icon

    Ascalaph Designer

    Graphic molecular dynamic package.

    Molecular Graphics, Molecular Dynamics, Optimization, Quantum chemistry. Molecular model building. Explicit and implicit water models.

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  • AtomDesigner Icon


    3D modeling of chemical elements atoms

    Downloads: 10 This Week Last Update: See Project
  • Raman Data Search and Storage Icon

    Raman Data Search and Storage

    A Raman spectra library with search and storage function.

    Raman Data Search and Storage (RDSS) software was developed as an analytical tool for a fast and accurate identification of unknown minerals by comparison of their spectra with the indexed library of data. A search function was implemented to enable users to find a specific peak value. Using the asterisk character (*) as a placeholder for one or more unknown peak value(s), the software will return the best match(es). Besides the search utility by the Raman band positions, which was proven to be priceless in the interpretation of Raman spectra, the RDSS software gives the user the ability to display and inspect the Raman spectra quickly and very efficiently. Users can zoom into the Raman spectrum, shift in any direction the wavenumber and the intensity axes, and if any part of the spectral display is clicked, that region will be highlighted and the specific wavenumber returned. A photo for every sample entry stored in the database is also available.

    Downloads: 5 This Week Last Update: See Project
  • QPeriodicTable

    A periodic table written in qt4. Inspired by the great kde app Kalzium. 64 bit windows users: There are 64 bit windows binarys in the file section.

  • qmol Icon


    A simple molecular weight calculator

    qmol is a simple molecular weight calculator, available for Linux and Windows, derived from Tomislav Gountchev's KMol. You can enter a formula, (e.g. CH3(CH2)2OH) and get its molecular weight (60.0959 g/mol) and its elemental composition (C3H8O: C 59.96; H 13.42; O 26.62 %). See the features list below for more details or consult the wiki page: For Windows binary and source code see the files section: Binary packages (rpm/deb) for openSUSE 11.4, 13.1-13.2, Ubuntu 12.04, 14.04-15.04, Fedora 20-21, RHEL 7, Scientific Linux 7, and Debian 7.0 & 8.0 can be found at:

  • 2DFLT Icon


    Program for Normalization, Averaging and Editing of In Situ Data Sets

    2DFLT it is first out of two programs which allows implementation of Phase Sensitive Detection (PSD) and/or Modulated Enhanced Diffraction (MED) techniques on the in situ data. This software allows collecting individual data files from in situ experiment into one dataset. After that this data set can be visualized, edited, normalized and averaged. Resulted data can be saved as one flat file (FLT-format) which can be used for PSD/MED calculations via 2DMED software ( 2DFLT specifically was written to target in situ X-ray Powder Diffraction data from synchrotron measurements. Hence it can read CHI, XYE (TOPAS), FXYE(GSAS/ GSASII) and XY- files formats. However it can read general in situ data written into individual TXT or XY – files.

    Downloads: 0 This Week Last Update: See Project
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  • Beryllium10 Icon


    Beryllium¹º is a program designed to facilitate the creation of group safety data sheets (GSDSs) for hazardous substances and processes. The created GSDSs fulfill the conditions of EG Nr. 1272/2008 (Globally Harmonized System of Classification and Labelling of Chemicals, GHS) and §20 Gefahrenstoffverordnung (German regulation and version of European Union Directive 67/548/EEC: Safety advice concerning dangerous substances and preparations).

    Downloads: 0 This Week Last Update: See Project
  • Chemical Mass Calculator Icon

    Chemical Mass Calculator

    Calculates chemical compounds molar masses

    Small and fast software that calculates the molar mass of a chemical formula. Can redirect user to the wiki page of the compund or to the NCBI chemical database. Multilanguage.

  • ChemicalManager

    The Chemical Manager application can be of great help to Organic Chemistry Departments. University research groups will benefit from using this application, since it was optimized for their needs. Currently, Technion Chemistry department is benefiting from it.

    Downloads: 0 This Week Last Update: See Project

    software for DFA method

    DIANNA (Diffraction Analysis of Nanopowders) is a free software developed to simulate atomic models of structures from an ensemble of nanoparticles and to calculate their whole X-ray powder diffraction patterns and the radial distribution function. The main objects of investigation are the particles whose coherent scattering domains do not exceed several nm. DIANNA is based on the ab initio method using the Debye scattering equation. This method makes it possible to obtain information on the atomic structure, shape and size of nanoparticles. It can be applied also to non-periodic materials or coherently ordered structures. Required "Microsoft .NET Framework 4": (Web Installer, 1 Mb) (Standalone Installer, 48 Mb)

    Downloads: 0 This Week Last Update: See Project
  • Periodic Table of Elements Icon

    Periodic Table of Elements

    PTable is a lightweight and easy to use application hat aims to bring you more information about the chemical elements which are represented in the periodic table. Besides the colored grouping, PTable is able to display details about any element you click onto. Thus, you can view the atomic number, symbol, common name, atomic weight, density, state and much more.

    Downloads: 0 This Week Last Update: See Project
  • System Lab

    Management and Analysis Laboratory analysis

    Labotaririos Control System of Hematology, blood chemistry, electrolytes, pH and Gases. Developed with Perl and MySQL symfony Order is generated análisi and prints a bar code, the sample is the parser processes the sample data capture drivers analyzers from R232 or Ethernet port and sends the data in a MySQL database then screen can montrar in symfony

    Downloads: 0 This Week Last Update: See Project
  • jPeriodic

    jPeriodic is a table of elements written in Java

    jPeriodic is a simple table of elements coded in Java providing the user with the most common informations about each known chemical element. By clicking an element a popup will apear containing the selected elements attributes. Additionaly jPeriodic offers a small temperature converter which is able to convert between Celcius and Kelvin. Because jPeriodic is coded in Java the software is platform-independent, meaning you can run jPeriodic on Windows, Mac OS, Linux and many other operating systems which are able to run a Java Virtual Machine.

    Downloads: 0 This Week Last Update: See Project
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