Chemistry Software

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Chemistry Software

  • License This HTML5 Speed Test for Your ISP or Network License This HTML5 Speed Test for Your ISP or Network Icon
    License This HTML5 Speed Test for Your ISP or Network Icon

    Are you an ISP or network administrator looking for a reliable, accurate, & affordable HTML5 speed test that works on all devices?

    The SourceForge Speed Test measures Latency/Ping, Jitter, Download Speed, Upload Speed, Buffer Bloat, and Packet Loss. Upon completion, you can view detailed reports about your connection. This HTML5 speed test does not require Flash or Java, and works on all devices including tablets and smartphones. Host on your own infrastructure or use ours. For licensing, inquire today.
  • Searching for Affordable Business Phone Service? Searching for Affordable Business Phone Service? Icon
    Searching for Affordable Business Phone Service? Icon

    If you're on the hunt for business phone service that is reliable and budget-friendly, Voice over Internet Protocol (VoIP) is your answer.

    Today's small-to-medium-sized (SMB) businesses and large enterprises are saving on their monthly communications costs by making one simple decision: to switch to a VoIP service solution from their old, outdated Plain Old Telephone Service (POTS). By choosing a new VoIP service, these companies enjoy the flexibility, reliability, call features, and audio quality that only a VoIP service can provide. Plus, they cut their phone bill by up to 70%!
  • Avogadro Icon

    Avogadro

    An intuitive molecular editor and visualization tool

    Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science and related areas. It offers a flexible rendering framework and a powerful plugin architecture.

  • Jmol Icon

    Jmol

    An interactive viewer for three-dimensional chemical structures.

    Over 10,000,000 page views! Jmol/JSmol is a molecular viewer for 3D chemical structures that runs in four independent modes: an HTML5-only web application utilizing jQuery, a Java applet, a stand-alone Java program (Jmol.jar), and a "headless" server-side component (JmolData.jar). Jmol can read many file types, including PDB, CIF, SDF, MOL, PyMOL PSE files, and Spartan files, as well as output from Gaussian, GAMESS, MOPAC, VASP, CRYSTAL, CASTEP, QuantumEspresso, VMD, and many other quantum chemistry programs. Files can be transferred directly from several databases, including RCSB, EDS, NCI, PubChem, and MaterialsProject. Multiple files can be loaded and compared. A rich scripting language and a well-developed web API allow easy customization of the user interface. Features include interactive animation and linear morphing. Jmol interfaces well with JSpecView for spectroscopy, JSME for 2D->3D conversion, POV-Ray for images, and CAD programs for 3D printing (VRML export).

  • Open Babel Icon

    Open Babel

    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, biochemistry, or related areas

  • APBS Icon

    APBS

    APBS is a software package for the numerical solution of the Poisson-Boltzmann equation, a popular continuum model for describing electrostatic interactions between molecular solutes over a wide range of length scales. <http://www.poissonboltzmann.org/>. Please register at http://goo.gl/LGVU5j before downloading!

  • Gabedit

    Gabedit is a Graphical User Interface for FireFly (PC-Gamess), Gamess-US, Gaussian, Molcas, Molpro, MPQC, NWChem, OpenMopac, Orca, PSI4 and Q-Chem computational chemistry packages.

  • Compare Cell Phone Plans at Wirefly Compare Cell Phone Plans at Wirefly Icon
    Compare Cell Phone Plans at Wirefly Icon

    You’re probably paying too much for cell phone service. Wirefly compares hundreds of plans to help you save.

    You’re probably paying too much for cell phone service. Wirefly compares hundreds of plans to help you save. Enter what you need (minutes, data, texts) into Wirefly’s innovative plan comparison tools and see your savings instantly.
  • SketchEl Icon

    SketchEl

    Chemical structure sketching tool, for use with various cheminformatics applications. Convenient to use and moderately sophisticated. Suitable for viewing, creating and editing MDL MOL files.

  • CIF2Cell

    Generating cells for electronic structure calculations from CIF files

    CIF2Cell is a tool to generate the geometrical setup for various electronic structure codes from a CIF (Crystallographic Information Framework) file. The program currently supports output for a number of popular electronic structure programs, including ABINIT, ASE, CASTEP, CP2K, CPMD, CRYSTAL09, Elk, EMTO, Exciting, Fleur, FHI-aims, Hutsepot, MOPAC, Quantum Espresso, RSPt, Siesta, SPR-KKR, VASP. Also exports some related formats like .coo, .cfg and .xyz-files. The program has been published in Computer Physics Communications 182 (2011) 1183–1186. Please cite generously.

  • Toxtree: Toxic Hazard Estimation Icon

    Toxtree: Toxic Hazard Estimation

    Toxicity prediction for chemical compounds

    A GUI application which estimates toxic hazard of chemical compounds. The latest version includes the following toxicity prediction modules: -Cramer rules (oral toxicity) -Toxicity mode of action via Verhaar scheme -Skin irritation and Eye irritation prediction -Benigni / Bossa rulebase for mutagenicity and carcinogenicity prediction -START biodegradation and persistence prediction -Skin sensitisation reactivity domain -Kroes TTC Decision tree -SMARTCyp - Cytochrome P450-Mediated Drug Metabolism and metabolites prediction -Structure Alerts for the in vivo micronucleus assay in rodents (ISSMIC) -Structural Alerts for Functional Group Identification (ISSFUNC) -Structural alerts associated with covalent protein binding and DNA binding. - Ames mutagenicity Toxtree provides a plugin framework to incorporate different approaches to the estimation. Platform independent (written in Java), with the use of The Chemistry Development Kit.

  • OpenChrom Icon

    OpenChrom

    OpenChrom is a tool for gas chromatography and mass spectrometry. The focus is to handle data files from different GC/MS and GC/FID systems and vendors. Its functionality and algorithms can be extended using a flexible plugin approach, based on Eclipse RCP.

    Downloads: 333 This Week Last Update: See Project
  • ASCEND modelling environment Icon

    ASCEND modelling environment

    ASCEND is a modelling environment and solver for large or small systems of non-linear equations, for use in engineering, thermodynamics, chemistry, physics, mathematics and biology. Solvers for both steady and dynamic (NLA & DAE) problems, are provid

  • SASHIMI

    The Sashimi project hosts the Trans-Proteomic Pipeline (TPP), a mature suite of tools for mass-spec (MS, MS/MS) based proteomics: statistical validation, quantitation, visualization, and converters from raw MS data to the open mzML/mzXML formats.

  • 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: 313 This Week Last Update: See Project
  • JSmol Icon

    JSmol

    JavaScript-Based Molecular Viewer From Jmol

    JSmol is the extension of the Java-based molecular visualization applet Jmol (jmol.sourceforge.net) as an HTML5 JavaScript-only web app. It can be used in conjunction with the Java applet to provide an alternative to Java when the platform does not support that (iPhone/iPad) or does not support applets (Android). Used in conjunction with the Jmol JavaScript Object (http://wiki.jmol.org/index.php/Jmol_Javascript_Object), JSmol seamlessly offers alternatives to Java on these non-Applet platforms. JSmol can read all the files that Jmol reads. You can do all the scripting that Jmol does. You can create all the buttons and links and such that you are used to creating for Jmol. All of the rendering capability of the Jmol applet is there. JSmol has both a console and a popup menu. JSmol is integrated fully with JSME and JSpecView. A "lite" version of JSmol provides minimal functionality (balls and sticks only) for extremely small-bandwith apps. Released 1/12/2013

  • PyMca Icon

    PyMca

    Stand-alone application and Python tools for interactive and/or batch processing analysis of X-Ray Fluorescence Spectra. Graphical user interface (GUI) and batch processing capabilities provided.

  • LAMMPS Icon

    LAMMPS

    Large-scale Atomic/Molecular Massively Parallel Simulator

    LAMMPS is a classical molecular dynamics simulator designed for parallel machines. It can model atomic, polymeric, biological, metallic, or mesoscale systems using a variety of force fields and boundary conditions and is easy to modify or extend.

  • XDrawChem

    XDrawChem is an application for chemistry drawing and analysis.

    XDrawChem is an application for drawing and analyzing chemical structures and reactions. Please visit the website for full details. Download source and binary releases here, and clone the source from GitHub at the external link above.

  • RasTop

    RasTop is a molecular graphics program intended for the visualisation of proteins, nucleic acids and small molecules based on the popular Rasmol software. The program is aimed at the rapid visualization and analysis of molecules.

  • chethermo Icon

    chethermo

    Software for Introductory Chemical Engineering Thermodynamics

    Introductory Chemical Engineering Thermodynamics helps readers master the fundamentals of applied thermodynamics as practice today. The text is distinctive in making the molecular perspectives accessible at the introductory level and connecting properties with practical applications. This site distributes the software for the textbook. If you are a 'user', then you want to download the archive from 'Download' icon or the 'Files' link. If you want the latest version of a particular file, then use the 'Code' link and look in the 'trunk' folder for the main development and 'branches' for any side projects. Please note that the 'Files' releases are periodic, and that the 'Code' files may contain development files or code that is different from the 'Files' content.

    Downloads: 158 This Week Last Update: See Project
  • Avalon Cheminformatics Toolkit Icon

    Avalon Cheminformatics Toolkit

    Avalon Toolkit for SMILES-based cheminformatics services

    The Avalon Cheminformatics Toolkit contains tools to render and canonicalize SMILES and manipulate MOL file and related formats as well as structure fingerprinting.

  • smina

    Scoring and Minimization with AutoDock Vina

    A fork of AutoDock Vina that is customized to better support scoring function development and high-performance energy minimization. smina is maintained by David Koes at the University of Pittsburgh and is not directly affiliated with the AutoDock project.

  • Bioclipse

    An open source workbench for chemo- and bioinformatics built on the Eclipse Rich Client Platform (RCP).

  • GenX Icon

    GenX

    GenX is a scientific program to refine x-ray refelcetivity, neutron reflectivity and surface x-ray diffraction data using the differential evolution algorithm. GenX is very modular and highly extensible and can be used as a general fitting program.

    Downloads: 111 This Week Last Update: See Project
  • MoCalc2012 Icon

    MoCalc2012

    Graphical User Interface for MOPAC, GAMESS, Firefly, NWChem and ORCA

    MoCalc2012 is a simple, efficient Graphical User Interface for MOPAC, GAMESS(US), Firefly, NWChem and ORCA.

  • Cantera Icon

    Cantera

    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.

    Downloads: 87 This Week Last Update: See Project
  • Ocean Optics Sample Pack Icon

    Ocean Optics Sample Pack

    Sample code for Ocean Optics OmniDriver spectrometer device driver

    Sample code demonstrating how to use OmniDriver to drive Ocean Optics full range of spectrometers from C, C++, C#, Java, LabVIEW, Delphi, MATLAB and more.

    Downloads: 84 This Week Last Update: See Project
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