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  • 1
    BioXTAS RAW

    BioXTAS RAW

    Processing and analysis of Small Angle X-ray Scattering (SAXS) data.

    ...It also allows easy processing of inline SEC-SAXS data and data deconvolution using the evolving factor analysis (EFA) or the regularized alternating least squares (REGALS) methods. Active source code is now maintained on github: https://github.com/jbhopkins/bioxtasraw To install: Check the instructions available at: http://bioxtas-raw.readthedocs.io/en/latest/install.html and in the Files tab. User guides: RAW guides are available at: http://bioxtas-raw.readthedocs.io/ and in the Files tab. To contact us, see: https://bioxtas-raw.readthedocs.io/en/latest/help.html
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    Downloads: 94 This Week
    Last Update:
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  • 2
    FDMNES powered by sparse solvers

    FDMNES powered by sparse solvers

    The sources and builds history of FDMNES project

    The sources and builds history of FDMNES project (http://neel.cnrs.fr/spip.php?rubrique1007&lang=en ) with parallel sparse solvers moved to github: https://github.com/gudasergey/fdmnes
    Downloads: 10 This Week
    Last Update:
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  • 3
    qmol

    qmol

    A simple molecular weight calculator

    ...CH3(CH2)2OH) and get its molecular weight (60.0959 g/mol) and its elemental composition (C3H8O: C 59.96; H 13.42; O 26.62 %). See the features list below for more details or consult the wiki page: https://sourceforge.net/p/qmol/wiki/Home/. For Windows binary and source code see the files section: https://sourceforge.net/projects/qmol/files/ Binary packages (rpm/deb) for openSUSE Leap 15.2-42.2, xUbuntu 20.10-19.10, 17.04, Fedora 33, CentOS 8, Scientific Linux 7, and Debian 10.0-8.0 can be found at: http://download.opensuse.org/repositories/home:/lineinthesand/
    Downloads: 7 This Week
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  • 4

    OpenGrowth

    OpenGrowth is a program which constructs de novo ligands for proteins.

    OpenGrowth is a research program which grows new ligands in proteins by connecting small organic fragments. The details can be found in the original publication "OpenGrowth: an automated and rational algorithm for finding new protein ligands" (J. Med. Chem., http://dx.doi.org/10.1021/acs.jmedchem.5b00886). To use OpenGrowth, you will need OpenGrowth_1.0.zip and Resources_1.0.2.zip that can be found by clicking on the Files menu in the horizontal bar at the top (https://sourceforge.net/projects/opengrowth/files). OpenGrowthGUI, FOG2.0, and the 3Mer-Screen stand-alone can be found in OpenGrowth_1.0.zip. ...
    Downloads: 0 This Week
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  • 5

    Virtual Cell

    Former home of the Virtual Cell platform (VCell), see http://vcell.org

    This project and all source code has moved to GitHub, see https://github.com/virtualcell
    Downloads: 0 This Week
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  • 6
    Visualization of Protein-Ligand Graphs

    Visualization of Protein-Ligand Graphs

    Compute protein graphs. Moved to https://github.com/MolBIFFM/PTGLtools

    NOTE: Project moved to https://github.com/MolBIFFM/PTGLtools. The Visualization of Protein-Ligand Graphs (VPLG) software package computes and visualizes protein graphs. It works on the super-secondary structure level and uses the atom coordinates from PDB files and the SSE assignments of the DSSP algorithm. VPLG is command line software. If you do not like typing commands, try our PTGL web server: http://ptgl.uni-frankfurt.de/
    Downloads: 0 This Week
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  • 7
    orbkit (Moved to Github)

    orbkit (Moved to Github)

    A Modular Python Toolbox for Cross-Platform Post-Processing of Quantum

    ...If you use orbkit in your work, please cite it as follows: Gunter Hermann, Vincent Pohl, Jean Christophe Tremblay, Beate Paulus, Hans-Christian Hege, and Axel Schild, "ORBKIT: A Modular Python Toolbox for Cross-Platform Postprocessing of Quantum Chemical Wavefunction Data", J. Comput. Chem. 2016, DOI: 10.1002/jcc.24358. orbkit's documentation can be found at http://orbkit.github.io/
    Downloads: 0 This Week
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  • 8
    ...A novel particle tracking method with individual particle size measurement and its application to ordering in glassy hard sphere colloids. Soft Matter 9, 1447–1457 (2013). https://dx.doi.org/10.1039/C2SM27107A (http://arxiv.org/pdf/1301.7237.pdf)
    Downloads: 0 This Week
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  • 9

    picard

    A set of tools for working with high-throughput sequencing data

    A set of tools (in Java) for working with next generation sequencing data in the SAM/BAM format. Note that development has moved to GitHub at https://github.com/broadinstitute/picard and support is available on the GATK forum at http://gatkforums.broadinstitute.org/categories/ask-the-team
    Downloads: 8 This Week
    Last Update:
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  • Powerful Website Security | Continuous Web Threat Platform Icon
    Powerful Website Security | Continuous Web Threat Platform

    Continuously detect, prioritize, and validate web threats to quickly mitigate security, privacy, and compliance risks.

    Reflectiz is a comprehensive web exposure management platform that helps organizations proactively identify, monitor, and mitigate security, privacy, and compliance risks across their online environments. Designed to address the growing complexity of modern websites, Reflectiz provides full visibility and control over first, third, and even fourth-party components, such as scripts, trackers, and open-source libraries that often evade traditional security tools.
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  • 10
    NanoTrackJ

    NanoTrackJ

    NanoTrackJ - Size characterization of freely diffusing nanoparticles

    NanoTrackJ moved to GitHub! Please see: https://github.com/thorstenwagner/ij-nanotrackj or http://fiji.sc/NanoTrackJ
    Downloads: 0 This Week
    Last Update:
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