Showing 22 open source projects for "application"

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  • 1
    Jmol

    Jmol

    An interactive viewer for three-dimensional chemical structures.

    Over 1,000,000 page views per month. 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. ...
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    Downloads: 825 This Week
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  • 2
    Aestel

    Aestel

    Applications for data management

    "Information is data in action", and, consequently, having good quality data is essential. The AESTEL package contains two highly configurable applications for data management: A data loader and a reporting application, i.e. DataLoader and AEREA, respectively. The data loader application applies user-defined instructions to validate, process and load data. The reporting application provides a query builder and spreadsheet template designer. Both applications work with any relational data model. (Postgres and Oracle have been tested). The two applications have been initially developed for small molecule drug discovery research. ...
    Downloads: 0 This Week
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  • 3
    Toxtree: Toxic Hazard Estimation

    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...
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    Downloads: 144 This Week
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  • 4
    DockoMatic is a GUI application that is intended to ease and automate the creation and management of AutoDock jobs for high throughput screening of ligand/receptor interactions.
    Downloads: 1 This Week
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  • 5
    Maui

    Maui

    Maui is the Maltcms User Interface

    Maui is the Maltcms User Interface, a rich client application for Chromatography-Mass Spectrometry and related research areas.
    Downloads: 0 This Week
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  • 6
    Maltcms
    The Maltcms - Modular Application Toolkit for Chromatography Mass-Spectrometry is a JAVA API for preprocessing, alignment, analysis and visualization of data stored in open file formats used in Proteomics and Metabolomics research.
    Downloads: 1 This Week
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  • 7

    Lab Processes

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

    ...Request new Lab Processes feature or module and receive a free Single User version with new feature. https://www.atgclabs.com/products/lp Lab Processes is a comprehensive and straightforward application specially designed for biologists and chemists who need to conduct a wide variety of tests and experiments on animals. Lab Processes requires minimal computing skills. Genetic and physiological data can be entered either manually or automatically when automated genotyping and analytical phenotypic assays are used. The Lab Processes application is web-based and completely customizable, with Animal Studies it is very simple to create, change and distribute data flows using an iterative approach. ...
    Downloads: 0 This Week
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  • 8

    Lab Studies

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

    ...Genetic and physiological data can be entered either manually or automatically when automated genotyping and analytical phenotypic assays are used. Animal Studies application is web-based and completely customizable, with Animal Studies it is very simple to create, change and distribute data flows using an iterative approach. Animal Studies puts all the information right at your fingertips. The Animal Studies module provides storage for the genotype information, organise genotyping protocols and archive genetic marker information, including for example PCR conditions and results.
    Downloads: 0 This Week
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  • 9

    ConvertMAS

    ConvertMAS converts Chemical File Formats mol, mol2 and sdf.

    ...It will split sdf file with multiple molecules into seperate single files of any desired format. Also ConvertMAS creates sdf files from joining of mol, mol2 and sdf files. This is stand alone application; hence no need of internet connectivity to get results. It will generate output files in less time. Various online tools are available for conversion of Chemical file formats; but ConvertMAS mainly works on mol, mol2 and sdf effectively.
    Downloads: 0 This Week
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  • 10
    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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  • 11
    BiMS

    BiMS

    BiMS (biclustering for mass spectrometry data) is a Java application d

    BiMS (biclustering for mass spectrometry data) is a Java application designed to allow the application of biclustering algorithms to mass spectrometry datasets. Users can load their MS datasets and apply different clustering and biclustering algorithms (current version includes Bimax and BiBit). In adition, users can load raw datasets (in mzML or mzXML formats) and preprocess them using MALDIquant package and MassSpecWavelet.
    Downloads: 2 This Week
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  • 12

    Chemistry Helper

    A simple easy to use chemistry helper!

    This application is intended to help students with the basics of chemistry. It can solve basic gas laws equations, and find the molar mass of a compound or element. These tasks allow students to cut the repetition out of basic chemistry.
    Downloads: 0 This Week
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  • 13
    Predyketide is a stand-alone desktop application which provides a way to observe the resulting structure per elongation of the polyketide chain, and predict the most possible natural product structure. This tool can be helpful in the discovery of new drugs requiring lesser time and effort. The project uses the cdk v.1.5 and cdk-jchempaint-26.
    Downloads: 0 This Week
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  • 14

    ME_DSS

    Microemulsion Decision Support System

    This application allow user to predict microemulsion region based on algorithm consisted of artificial neural networks and random forests. Those techniques combined create Decision Support System. Application was created as a part of project K/DSC/000033 subsidy for young researchers from Polish Ministry of Higher Education.
    Downloads: 0 This Week
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  • 15
    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
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  • 16
    The EDAM ENCHILADA - The Exploratory Data Analysis and Management Project's Environmental Chemistry Data Processing and Mining Application.
    Downloads: 0 This Week
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  • 17
    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
    Downloads: 0 This Week
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  • 18
    Janocchio is an application or applet for viewing 3D molecular structures and calculating NMR couplings and NOEs
    Downloads: 1 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

    Periodic Table

    This application will show you the periodic table and all the details.

    This application will show you the periodic table and it also has a huge amount of data for each element in the periodic table. Almost every term for the element is described!
    Downloads: 0 This Week
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  • 21
    Basic life is an application that desires to simulate basic life based on some basic chemistry/physics rules. This environment provides particles that can bond, vibrate, react, etc. in order to create basic cells
    Downloads: 0 This Week
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  • 22
    Jaqpot3
    The JAQPOT3 web services are OpenTox API-1.2 compliant web services. JAQPOT3 is a web application that supports model training and data preprocessing algorithms such as MLR, SVM, ANN and more.
    Downloads: 0 This Week
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