Showing 138 open source projects for "java open source projects"

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  • 1

    BioPPSy

    A biochemical property prediction system

    Computationally predicts the pharmacokinetic properties of drug candidates using Quantitative Structure Property Relationships (QSPR) modelling. Assembles a set of tools and databases for predicting the physical properties of small molecules. The program models a given property's dependence on a collection of molecular and structural descriptors using a training set of molecules. Neural networks and support vector regression are available, as well as linear models. The models generated by...
    Downloads: 0 This Week
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  • 2
    Jamberoo (former JMolEditor) is a library of algorithms for structural Computational Chemistry implemented in the Java programming language. The Jamberoo classes can be integrated into other Java applications.
    Downloads: 0 This Week
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  • 3
    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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  • 4
    J-ICE
    J-ICE stands for Jmol interface for crystallographic and electronic properties. Is an extension of the powerful, platform independent molecular visualizer Jmol, towards crystallographic and electronic properties. More info will be given soon.
    Downloads: 3 This Week
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  • Axe Credit Portal - ACP- is axefinance’s future-proof AI-driven solution to digitalize the loan process from KYC to servicing, available as a locally hosted or cloud-based software. Icon
    Axe Credit Portal - ACP- is axefinance’s future-proof AI-driven solution to digitalize the loan process from KYC to servicing, available as a locally hosted or cloud-based software.

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  • 5
    Molecular Simulation Grid

    Molecular Simulation Grid

    Provides high performance computing power and state of the art tools

    MoSGrid focuses on the configuration and provision of Grid services for molecular simulations and annotation of the results with metadata and their provision for data mining and knowledge generation. It is based on Liferay technology togethe with gUSE.
    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: 0 This Week
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  • 7
    An open source workbench for chemo- and bioinformatics built on the Eclipse Rich Client Platform (RCP).
    Downloads: 1 This Week
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  • 8
    RDKit

    RDKit

    Open-Source Cheminformatics and Machine Learning

    A collection of cheminformatics and machine-learning software written in C++ and Python. NOTE: the RDKit source code and downloads are now in github: https://github.com/rdkit/rdkit The core algorithms and data structures are written in C++. Wrappers are provided to use the toolkit from either Python or Java. Additionally, the RDKit distribution includes a PostgreSQL-based cartridge that allows molecules to be stored in relational database and retrieved via substructure and...
    Downloads: 1 This Week
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  • 9
    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: 2 This Week
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  • 10

    ConvertMAS

    ConvertMAS converts Chemical File Formats mol, mol2 and sdf.

    ConvertMAS - molecule converter; use to convert Chemical File Formats. It works on mol, mol2 and sdf files. It converts single file to respective formats. 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...
    Downloads: 0 This Week
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  • 11
    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.
    Downloads: 7 This Week
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  • 12
    Biological Network Analyzer
    Workbench for visualizing biological networks (regulatory, interaction, and metabolic). Can be used as a front-end for BNDB datawarehouses, but also as stand-alone tool.
    Downloads: 0 This Week
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  • 13
    Gecko Hamaker

    Gecko Hamaker

    Calculates Hamaker coefficient,interaction free energy,force,torque.

    The Gecko Hamaker open-source software project is a full implementation of the fully retarded Lifshitz formulations for isotropic and anisotropic plane-plane and cylinder-cylinder interactions with intervening interlayer materials, planar systems of up to 99 layers, and graded interfaces for the modeling of grain boundaries or other continuously changing systems, accompanied by a database of material optical properties spectra. The machine-readable optical property database is available...
    Downloads: 0 This Week
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  • 14
    MolTPC

    MolTPC

    MolTPC provides a solution for fully automatic tautomer enumeration.

    Besides all their conformational degrees of freedom, drug-like molecules and natural products often also undergo tautomeric interconversions. Compared to the huge efforts made in experimental investigation of tautomerism, open and free algorithmic solutions for prototropic tautomer generation are surprisingly rare. The few freely available software packages limit their output to a subset of the possible configurational space by sometimes unwanted prior assumptions and complete neglection of...
    Downloads: 0 This Week
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  • 15
    Avalon Cheminformatics Toolkit

    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.
    Downloads: 35 This Week
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  • 16
    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: 2 This Week
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  • 17

    VSViewer3D

    3D Virtual Screening Viewer

    This project is an interactive viewer for 3D virtual screening data.
    Downloads: 0 This Week
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  • 18
    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: 0 This Week
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  • 19

    IQuant

    A pipeline for quantitative proteomics based upon isobaric tags

    IQuant is an automated pipeline for quantitative proteomics based upon isobaric tags. It integrates post-processing tool of protein identification and advanced statistical algorithms to process the MS/MS signals generated from the peptides labeled by isobaric tags for quantification. IQuant can run from a graphical user interface (GUI) as well as a command-line interface and work with both Windows and Linux system. This website contains the IQuant software, an example data labeled by...
    Downloads: 0 This Week
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  • 20
    xeo is a free (GPLv3) open project management for nanostructures using Java
    Downloads: 0 This Week
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  • 21
    OPEN GENERAL SCIENTIFIC INTERFACES
    OPEN GENERAL SCIENTIFIC INTERFACES homepage : http://www.opengsi.org
    Downloads: 0 This Week
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  • 22

    Computing with units

    Calculator that takes care of measurement units.

    Java program for computations with values expressed in terms of physical or other units. Supports complicated mathematical expressions and user-defined functions. Invoked from scripts, line command, or as GUI. Extensive units data base.
    Downloads: 0 This Week
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  • 23

    Alcohol Calculator

    Ein Alkohol Rechner

    Dieser Alkohol Rechner gibt dem Nutzer die Möglichkeit ungefähr seinen Alkoholgehalt im Blut zu bestimmen. Alle Angaben des Programms sind natürlich ohne Gewähr und natürlich kann der Alkoholgehalt auch wesentlich höher oder niedriger sein.
    Downloads: 0 This Week
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  • 24

    javadbchem

    A universal chemistry database system, using Java and any rdbms

    This projects provides a mechanism which saves chemical structures to a 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....
    Downloads: 0 This Week
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  • 25
    is-sfe

    is-sfe

    Information System "Supercritical Fluid Extraction"

    Information System "Supercritical Fluid Extraction" has developed as tool for collecting and analyzing the experimental data from various supercritical fluids experiments. 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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