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    Train ML Models With SQL You Already Know

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    KherveFitting

    KherveFitting

    Fit X-ray Photoelectron Spectroscopy (XPS) and XAS data

    ⚠️ KherveFitting has moved. New releases will no longer be published here. Download the latest version from https://khervetools.com or directly from GitHub: https://github.com/KherveFitting/KherveFitting/releases/latest. This SourceForge page is kept for archival/older versions only. YouTube Channel: https://www.youtube.com/@xpsexamples-imperialcolleg6571
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    Downloads: 305 This Week
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  • 2

    GromacsProSuite

    Graphical User Interface for Gromacs

    This tool is an integrated graphical interface that simplifies molecular dynamics simulations using Gromacs. It provides a structured, tab-based environment to set up, execute, and analyze simulations data without complex command-line operations. The software automates tasks such as topology generation, solvation, ion addition, minimization, equilibration, and production runs while executing GROMACS commands in the background. Built-in monitoring tracks CPU, RAM, and disk usage to ensure...
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    Downloads: 0 This Week
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  • 3
    TOFSIMS

    TOFSIMS

    R/Bioconductor toolkit for mass spectrometry data

    The tofsims project is an R/Bioconductor toolkit designed for processing, analyzing, and visualizing imaging mass spectrometry data from Time-of-Flight Secondary Ion Mass Spectrometry (ToF-SIMS) instruments. It supports importing raw and preprocessed data from popular instrument platforms (e.g. IONTOF, Ulvac-Phi) and provides methods for mass calibration, peak picking, and peak integration. The package allows transformation of spectra into 2D image structures (mass images), with operations such as binning, scaling, subsetting, and visual rendering. For data exploration and dimensionality reduction, it includes multivariate methods common in the ToF-SIMS community: PCA (Principal Component Analysis), MCR (Multivariate Curve Resolution), MAF (Maximum Autocorrelation Factors), and MNF (Minimum Noise Fraction). ...
    Downloads: 0 This Week
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  • 4
    Intel(R) CnC

    Intel(R) CnC

    Parallelism without the Pain

    CnC makes it easy to write C++ programs which take full advantage of the available parallelism. Whether run on multicore systems, Xeon Phi™ or clusters CnC will seamlessly exploit the performance potential of your hardware. Through its portabilty and composability (with itself and other tools) it provides future-proof scalability. Intel© Concurrent Collections for C++ is a C++ template library for letting C++ programmers implement CnC applications which run in parallel on shared and distributed memory.
    Downloads: 0 This Week
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  • 5
    SecStAnT

    SecStAnT

    Secondary Structure Analysis Tool for data selection and statistics

    ...Evaluate statistical distributions of internal variables: a. single variable distributions (including the most relevant in the atomistic representation, e.g. PHI and PSI and a number of those for the Cα based representation) b. two variables correlations (including the PHI-PSI Ramachandran map and its equivalent in the Cα based representation) c. three variables correlations
    Downloads: 0 This Week
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  • 6
    PHI is a project for processing geographic images
    Downloads: 0 This Week
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  • 7
    a cross-platform application to decode, search, browse, view, print, and export TLG/PHI BetaCode texts. Project is currently being ported from wxWindows to Java. (For more info, see the project homepage at http://wxtlg.sourceforge.net)
    Downloads: 0 This Week
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