Showing 15 open source projects for "http"

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  • 1
    APBS

    APBS

    Biomolecular electrostatics software

    This software has moved to http://www.poissonboltzmann.org/.
    Downloads: 0 This Week
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  • 2
    2DFLT

    2DFLT

    Program for Normalization, Averaging and Editing of In Situ Data Sets

    ...After that this data set can be visualized, edited, normalized and averaged. Resulted data can be saved as one flat file (FLT-format) which can be used for PSD/MED calculations via 2DMED software (http://sourceforge.net/projects/twodmed/?source=directory). 2DFLT specifically was written to target in situ X-ray Powder Diffraction data from synchrotron measurements. Hence it can read CHI, XYE (TOPAS), FXYE(GSAS/ GSASII) and XY- files formats. However it can read general in situ data written into individual TXT or XY – files.
    Downloads: 0 This Week
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  • 3
    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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  • 4

    binana

    BINANA (BINding ANAlyzer) is a python-implemented algorithm for analyz

    ...PDBQT files can be generated from the more common PDB file format using the free converter provided with AutoDockTools. As output, BINANA describes ligand binding. NOTE: The latest version of BINANA is now hosted at http://git.durrantlab.com/jdurrant/binana . Versions on SourceForge are not up to date.
    Downloads: 0 This Week
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  • eProcurement Software Icon
    eProcurement Software

    Enterprises and companies seeking a solution to manage all their procurement operations and processes

    eBuyerAssist by Eyvo is a cloud-based procurement solution designed for businesses of all sizes and industries. Fully modular and scalable, it streamlines the entire procurement lifecycle—from requisition to fulfillment. The platform includes powerful tools for strategic sourcing, supplier management, warehouse operations, and contract oversight. Additional modules cover purchase orders, approval workflows, inventory and asset management, customer orders, budget control, cost accounting, invoice matching, vendor credit checks, and risk analysis. eBuyerAssist centralizes all procurement functions into a single, easy-to-use system—improving visibility, control, and efficiency across your organization. Whether you're aiming to reduce costs, enhance compliance, or align procurement with broader business goals, eBuyerAssist helps you get there faster, smarter, and with measurable results.
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  • 5

    LipidWrapper

    Create lipid-bilayer models of arbitrary geometry.

    LATEST VERSION NOW LOCATED AT http://git.durrantlab.com/jdurrant/lipidwrapper As ever larger and more complex biological systems are modeled in silico, approximating physiological lipid bilayers with simple planar models becomes increasingly unrealistic. When building large-scale models of whole subcellular environments, models of lipid membranes with carefully considered, biologically relevant curvature are essential.
    Downloads: 0 This Week
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  • 6

    FingerID

    Metabolite identification via machine learning.

    ...FingerID since version 1.4 will be hosted on github: https://github.com/icdishb/fingerid A metabolite identification software using tandem mass spectrometry and kernel methods. The related paper can be found at http://bioinformatics.oxfordjournals.org/content/early/2012/07/18/bioinformatics.bts437.abstract. Now it supports unix/linux like system.
    Downloads: 0 This Week
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  • 7
    cclib
    ...Please use the flowing pages for up-to-date information about cclib: Repository (source code, tracker) - https://github.com/cclib/cclib Online documentation - http://cclib.github.io/ cclib is an open source library, written in Python, for parsing and interpreting the results of computational chemistry packages. It currently parses output files from ADF, Firefly, GAMESS, GAMESS-UK, Gaussian, Jaguar and ORCA.
    Downloads: 1 This Week
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  • 8

    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.
    Downloads: 0 This Week
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  • 9
    Bika Open Source LIMS/LIS

    Bika Open Source LIMS/LIS

    Web based laboratory information management system

    A web-based LIMS (Laboratory Information Management System) · Built in Plone · Professionally supported · Making waves · bi:ka (Zulu): tell it as it is More information and links to manuals, user forums, support and translations are available at https://www.bikalims.org/support-and-service-provision Bika community: www.bikalims.org Main project sponsor, Bika Lab Systems: www.bikalabs.com Inquiries: lemoene@bikalabs.com
    Downloads: 0 This Week
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  • Skillfully - The future of skills based hiring Icon
    Skillfully - The future of skills based hiring

    Realistic Workplace Simulations that Show Applicant Skills in Action

    Skillfully transforms hiring through AI-powered skill simulations that show you how candidates actually perform before you hire them. Our platform helps companies cut through AI-generated resumes and rehearsed interviews by validating real capabilities in action. Through dynamic job specific simulations and skill-based assessments, companies like Bloomberg and McKinsey have cut screening time by 50% while dramatically improving hire quality.
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  • 10
    UPDATE: The latest version of NNScore1 can be found here: http://git.durrantlab.com/jdurrant/nnscore1 The latest version of NNScore2 can be found here: http://git.durrantlab.com/jdurrant/nnscore2 ================ NNScore is a scoring function for characterizing the potency of receptor-ligand complexes. It is based on neural networks, computational models that simulate the microscopic organization of the brain.
    Downloads: 0 This Week
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  • 11
    PyMOL Plugins aims to provide many plugins for the PyMOL software. You can find further informations about PyMOL on this website: http://www.pymol.org/
    Downloads: 0 This Week
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  • 12
    MIPGen

    MIPGen

    Simple Molecular Interaction Potential Generator in Python

    Molecular Interaction Potential Generator MIPGEN is a python program that will calculate Molecular Interaction Potential grids over a given molecule, that could be either a protein or a small organic compound (drug). The output will be a series of grids with DX format (*.dx) that the user will be able to visualize using any Molecular visualization program like VMD, PyMol, Chimera... For more information on dependencies and usage, please read the Documentation. Users are welcome...
    Downloads: 0 This Week
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  • 13
    Metmask has moved to github http://github.com/hredestig/metmask Metmask is a tool written in python for managing chemical identifiers for metabolomics experiments. It can incorporate identifiers from local textfiles, several online databases, query PubChem and record all found associations in a local sqlite database.
    Downloads: 0 This Week
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  • 14
    Goldify is a set of tools that allow automated addition of links into electronic documents. Its main purpose is to allow such addition of links into documents that wish to link to the IUPAC GoldBook (http://goldbook.iupac.org).
    Downloads: 0 This Week
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  • 15
    A repository of Python extension scripts for use with the Sparky (http://www.cgl.ucsf.edu/home/sparky) NMR assignment package. No packaged releases yet, but there are scripts in the Sourceforge CVS@ http://sparkyscripts.cvs.sourceforge.net/sparkyscripts
    Downloads: 0 This Week
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