Showing 21 open source projects for "there is no way to"

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  • 1
    freesteam
    Open source steam property routines in C. Implements the IAPWS-IF97 steam tables from the International Association for the Properties of Water and Steam. Includes two-way property solvers and test suite. Can be used from C/C++, Fortran, Python, LabVIEW, Octave and ASCEND.
    Downloads: 10 This Week
    Last Update:
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  • 2
    CVSim

    CVSim

    Cyclic Voltammetry Simulation Program for Research and Education

    This a cyclic voltammetry (CV) program created for teaching CV undergraduate chemistry students. For research, download the version from https://sourceforge.net/projects/cvsimplus/ . CVSim uses the implicit method to simulate diffusion. Development of new methods for more accurate simulation of the diffusion is under way. For more details and discussion contact me at akeramid@ucy.ac.cy.
    Downloads: 8 This Week
    Last Update:
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  • 3
    CVSimPlus

    CVSimPlus

    Cyclic Voltammetry Simulation Program for Research

    This a cyclic voltammetry (CV) program created for teaching CV undergraduate chemistry students and research. It can be downloaded and from https://sites.google.com/site/keramidasscientificsoftware/cvsim. CVSim uses either implicit or RK4 methods to simulate diffusion. Development of new methods to accurate simulate the diffusion is under way. A lot of time has been invested and will be on making the simulation of CV as more accurate as possible. The results at the moment for CV...
    Downloads: 0 This Week
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  • 4
    FreeLAB

    FreeLAB

    Open Source Web Based LIMS for analytical laboratory

    FreeLAB provide inovative way how to get samples, equipment and analytical results data automatically from analytical instruments such as chromatography, spectroscopy or other labroatory equipment. FreeLAB is a web based application based on CMS Drupal and project Open Atrium. FreeLAB natively supports Agilent Technologies instrumentation controled by OpenLAB CDS and MassHunter GCMS software. Via automatic parser is possible to periodically import any xml, txt, csv formats into FreeLAB...
    Downloads: 9 This Week
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    AI-powered conversation intelligence software

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  • 5
    silico

    silico

    Libraries and scripts for molecular modelling written in Perl

    A perl molecular toolkit designed to assist in general molecular modelling activities. Silico provides file format conversion, molecular manipulation and analysis and a simple way to write wrapper scripts around other preexisting software packages.
    Downloads: 1 This Week
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  • 6
    FullFun

    FullFun

    A software package for fullerenes and their functionalized derivatives

    FullFun (stand for Fullerene Functionalization) is an open source software package, licensed under the GNU General Public License (GPL). It provides an efficient and easy way to generate, analyze and predict fullerene-related structures. The package consists of four programs: CSIOpt, XSI, XSIOpt and bkcage. They are implemented using the C and C++ languages and distributed under an open source licence. The code can be compiled and executed on Linux, Mac OS X and Windows (via DOS) operating...
    Downloads: 0 This Week
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  • 7

    Canvas-2DGC

    A user-extensible Freemat based 1DGC and GCxGC data analysis software.

    Canvas-2DGC is a user-extensible, Freemat based 1DGC and comprehensive 2DGC (GCxGC) data visualization and processing software. GCxGC-MS data analysis is supported for Agilent GCMS data format. The first goal of this project is to provide a highly intelligent analytical tool for reducing a complex chromatographic data analysis, either 1D or 2D, to just a few simple and intuitive steps. The second goal is to provide a fast and practical way of customizing or extending functionalities...
    Downloads: 3 This Week
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  • 8
    FABS

    FABS

    Fluorescence and absorption spectroscopy made easy

    ..., and graph smoothing. FABS was designed with students in mind, as a way to help high schoolers and undergraduates learn about spectroscopy without paying for expensive equipment and software. Accompanying this software is a hardware design, which can be used as a bare-bones spectrometer that will provide quantitative absorption and fluorescence emission spectra at an extremely low cost. It uses only materials that many people can find around their home.
    Downloads: 3 This Week
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  • 9
    Vibeplot presents a new and attractive way to visualize vibrational analysis from density functional calculations (DFT). It is especially targeted at the chemists. The interface can either be scripted or used interactively with QVibeplot.
    Downloads: 0 This Week
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  • 10

    WISP

    Weighted Implementation of Suboptimal Paths (WISP)

    UPDATE: LATEST VERSION AT http://git.durrantlab.com//jdurrant/wisp Allostery can occur by way of subtle cooperation among protein residues (e.g., amino acids) even in the absence of large conformational shifts. Dynamical network analysis has been used to model this cooperation, helping to computationally explain how binding to an allosteric site can impact the behavior of a primary site often many angstroms away. Traditionally, computational efforts have focused on the most optimal path...
    Downloads: 2 This Week
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  • 11
    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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  • 12
    ToxOtis
    ToxOtis is a Java interface to the predictive toxicology services of OpenTox. ToxOtis is being developed to help both those who need a painless way to consume OpenTox web services and for ambitious service providers...
    Downloads: 0 This Week
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  • 13
    LabDiary
    LabDiary is a program for managing laboratory experiments in a sophisticated way. It is very easy to use - you can link experiments logically with each other, associate files to an experiment and structure all your data.
    Downloads: 0 This Week
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  • 14
    A sorting tool for Bioinformatics, Biochemistry and/or Molecular biology. This sorts nucleotide sequences aligned using "ClustalW". There may be a way to do this w/ original app, but someone I know couldn't figure out how - thus this project was born
    Downloads: 0 This Week
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  • 15
    Oscilib (Open Science Library) aims to be a comprehensive suite of programs that provide a simple useful way to solve common scientific and mathematical problems.
    Downloads: 0 This Week
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  • 16
    BINViz(Bidirectional Interactive Network Visualization) is a JavaScript library for network and graph visualization. The goal of this tool is to provide a better way to visualize complex graphical models and the underlying data in a web-based environ
    Downloads: 0 This Week
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  • 17
    Structlab is a machine learning C++ framework for structured domains, which provides a toolbox of learning methods and tools for preprocessing and visualization. It also provides a GUI to setup elaborate experiments in a visual and intuitive way.
    Downloads: 0 This Week
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  • 18
    PIMC++ is a code designed to perform fully-correlated simulations of quantum systems in continuous space at finite temperature using Path Integral Monte Carlo. It is designed in a modular way to facilitate easy addition of new algorithms.
    Downloads: 0 This Week
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  • 19
    An easy way for single crystal structure analysis. Graphical software for single crystal structure refinement. CRYSTALBUILDER uses SHELXL-97 software for the refinement and makes directly possible the molecular structure visualization.
    Downloads: 0 This Week
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  • 20
    EasyChem is designed to draw chemical molecules in an intuitive way, with a very high quality (designed for book-publishing). Exporting is done to various formats (PostScript, Fig, LaTeX, etc.) to help you integrate your drawing in any software you use.
    Downloads: 3 This Week
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  • 21
    The JPAT API is a Java API designed to provide developers with tools for calculating the results of protease digestion of proteins and ms/ms fragmentation of peptides. JPAT also contains GUI components for displaying the results. JPAT is a nice way to get
    Downloads: 0 This Week
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