Showing 20 open source projects for "development"

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  • 1
    The Chemistry Development Kit
    The Chemistry Development Kit (CDK) is a scientific, LGPL-ed library for bio- and cheminformatics and computational chemistry written in Java. The main home page of the CDK is now at: http://cdk.github.io
    Downloads: 32 This Week
    Last Update:
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  • 2
    JSmol

    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...
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    Downloads: 14 This Week
    Last Update:
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  • 3
    Toxtree: Toxic Hazard Estimation

    Toxtree: Toxic Hazard Estimation

    Toxicity prediction for chemical compounds

    ... - 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.
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    Downloads: 142 This Week
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  • 4
    SMSD

    SMSD

    SMSD is a Java based software library for calculating MCS.

    SMSD is a Java based software library for calculating Maximum Common Subgraph (MCS) between small molecules. This will help us to find similarity/distance between two molecules. MCS is also used for screening drug like compounds by hitting molecules, which share common subgraph (substructure).
    Downloads: 1 This Week
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  • Atera all-in-one platform IT management software with AI agents Icon
    Atera all-in-one platform IT management software with AI agents

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  • 5

    BioPPSy

    A biochemical property prediction system

    ...Neural networks and support vector regression are available, as well as linear models. The models generated by this analysis can then be used to predict the properties of compounds during the development of new and novel drugs. The program and its databases are all open-source.
    Downloads: 0 This Week
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  • 6
    An open source workbench for chemo- and bioinformatics built on the Eclipse Rich Client Platform (RCP).
    Downloads: 7 This Week
    Last Update:
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  • 7
    RMG - Reaction Mechanism Generator
    Notice: RMG-Java is no longer in active development. Please find the latest version written in Python at http://reactionmechanismgenerator.github.io To see the website o the old Java version of RMG, visit http://rmg.sourceforge.net RMG (Java version) is an automatic chemical reaction mechanism generator that constructs kinetic models composed of elementary chemical reaction steps using a general understanding of how molecules react (currently limited to C, H, O, and S atoms).
    Downloads: 6 This Week
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  • 8

    Cell Culture

    Rediscover the Simplicity http://www.atgclabs.com/

    ...Request new Cell Culture feature or module and receive a free Single User version with new feature. https://www.atgclabs.com/products/fw Cell Culture is a highly specialized protocol-driven system designed to support development of the cell lines. Cell Culture manages activities related to the growth and maintenance of cell lines, provides stable cell lines development and incorporates laboratory methods facilitating faster and more accurate inventory lifecycle management: from the procurement of cell lines and request processing to tracking of tubes and other items in the laboratories. ...
    Downloads: 0 This Week
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  • 9
    µic is a modelling engine for simulations of microstructural development. It takes localied behaviours as input from the user and integrates the global behaviour, with the calculation of all interactions as required by the application.
    Downloads: 0 This Week
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  • Free and Open Source HR Software Icon
    Free and Open Source HR Software

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  • 10

    javadbchem

    A universal chemistry database system, using Java and any rdbms

    ...Everything is written in Java and is independent from the rdbms used (first tested system is mysql, tweaking might be needed for others). The chemistry is handled using Chemistry Development Kit, this is proven code. The system holds atoms and bonds as entities in the rdbms, this makes it possible to have properties recorded using foreign keys and referential integrity. Apache Torque is used for database access. The build system of the project makes it possible to add properties directly to the molecule/atom/bond tables. ...
    Downloads: 0 This Week
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  • 11
    is-sfe

    is-sfe

    Information System "Supercritical Fluid Extraction"

    ...The final target is to help to scientists who worked with supercritical fluids to predict some useful properties such as density, solubility etc. In order to calculate molecular descriptors, parse SMILES and another applied purposes is used Chemistry Development Kit (https://sourceforge.net/projects/cdk).
    Downloads: 0 This Week
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  • 12

    BinBase

    BinBase is a software for the automatic analysis of Massspec data from

    BinBase is a software for the automatic analysis of Massspec data from LECO GC-Tofs. All code and documentation has been moved to the google code site of this project: https://code.google.com/p/binbase/ And support is provided by the company coding and more, which can be reached under: contact@codingandmore.org
    Downloads: 0 This Week
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  • 13
    iso2l (ˈaisəutuːl, spoken isotool) is a software to calculate the isotopic distribution of a chemical formula or a amino acid chain. The development has been MOVED TO https://github.com/binfalse/iso2l
    Downloads: 0 This Week
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  • 14
    cca-forum
    Cca-forum unifies the Common Component Architecture tools and tutorial. It includes the CCA specifications, the Ccaffeine framework for HPC, and related tools. These support multilanguage scientific and parallel computing.
    Downloads: 0 This Week
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  • 15
    Adjusting PKL-Files derived from MS-experiments. The development of the project has been MOVED TO https://github.com/binfalse/adjustpkl
    Downloads: 0 This Week
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  • 16
    The development and curation of a range of XML-based tools for using Chemical Markup Language (CML), including XSD XML Schemas for validation, datatyping and constraining CML documents and XSLT Stylesheets for transforming, filtering and rendering.
    Downloads: 0 This Week
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  • 17
    JOELib/JOELib2 is a cheminformatics library which supports SMARTS substructure search, descriptor calculation, processing/filtering pipes, conversion of file formats, 100% pure Java, and interfaces to external programs (e.g. Ghemical) are available.
    Downloads: 1 This Week
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  • 18
    This project has moved. Please follow the WWW link below.
    Downloads: 0 This Week
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  • 19
    JChemPaint Applet and Swing Application
    The JChemPaint Applet and Swing Application are Java programs for drawing 2D chemical structures like those found in most chemistry textbooks. It is based on the Chemistry Development Kit (cdk.sf.net). Downloads, tracker, and source code repository can be found on https://jchempaint.github.io
    Downloads: 0 This Week
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  • 20
    A plugin for the Eclipse IDE implementing NumericalChameleon: a powerful numerical convertor, supporting more than 2300 units in 78 categories (physics, radixes, exchange rates, unicode, etc). Fully integrated in the Eclipse IDE (refactoring, copy/paste)
    Downloads: 0 This Week
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