Search Results for "sourceforge.net/projects/winpython/files/winpython_3.8/3.8.10.0/winpython64-3.8.10.0.7z" - Page 3

Showing 91 open source projects for "sourceforge.net/projects/winpython/files/winpython_3.8/3.8.10.0/winpython64-3.8.10.0.7z"

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  • 1

    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. ...
    Downloads: 0 This Week
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  • 2

    ChemClipse 3rd Party Libraries

    ChemClipse Third Party Libraries

    The ChemClipse 3rd Party Libraries are plug-ins which encapsulate the functionality of other open-source projects to be usable through Eclipse/OSGi bundles within the ChemClipse Rich Client Platform (RCP).
    Downloads: 0 This Week
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  • 3
    sdf2xyz2sdf
    An open-source software to convert SDF files into TINKER XYZ files (and viceversa) with automatic assignment of MMFF94 atom types, bond types and charges
    Downloads: 9 This Week
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  • 4

    binana

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

    BINANA (BINding ANAlyzer) is a python-implemented algorithm for analyzing ligand binding. The program identifies key binding characteristics like hydrogen bonds, salt bridges, and pi interactions. As input, BINANA accepts receptor and ligand files in the PDBQT format. 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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  • 5
    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: 6 This Week
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  • 6
    FABS

    FABS

    Fluorescence and absorption spectroscopy made easy

    FABS is a program designed to run a fluorescence/absorption spectrometer on Windows. The program analyzes spectra and provides graphs and data files. Users may choose to input video files from cell phones or other cameras, still images, or even live streams of video from webcams. FABS can perform any necessary calibration and image preprocessing. Experienced users have a number of more advanced options such as background subtraction, adjustments for nonlinearities in detector response, and graph smoothing. ...
    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: 0 This Week
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  • 8
    Animp is an OpenGL program to display movies of particles in motion where the movies are produced by adding calls to animp library routines to simulation code written in either C++ or Fortran. Animp can also display molecules read from PDB files.
    Downloads: 0 This Week
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  • 9

    IQuant

    A pipeline for quantitative proteomics based upon isobaric tags

    ...This website contains the IQuant software, an example data labeled by iTRAQ-8plex for testing and a user's manual. If you have any question about IQuant, please contact me: wenbo@genomics.cn. The source code of IQuant can be found here "https://sourceforge.net/p/iquant/code/".
    Downloads: 0 This Week
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  • 10
    A simple software to extract useful data from gaussian log files.
    Downloads: 0 This Week
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  • 11

    peptide array generator

    small and smart peptide array generator, considering time complexity.

    small and smart peptide array generator, considering time complexity. commercial software is quite costful (500+ euros). this projects aims on creating an open source, free alternative to those software.
    Downloads: 0 This Week
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  • 12
    is-sfe

    is-sfe

    Information System "Supercritical Fluid Extraction"

    ...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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  • 13

    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.
    Downloads: 0 This Week
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  • 14

    nwbas2ecce

    nwbas2ecce converts nwchem basis set files to the ECCE format

    ...In addition, many of the newer basis sets that come with nwchem aren't included, such as the def2- series. nwbas2ecce is a python script that aims to automate as much as possible of the conversion process of a nwchem basis set file into the files necessary for ECCE to included it in the basis set tool. The process isn't completely automatic, but I also believe that it shouldn't be to avoid stuff-ups -- however, the amount of manual editing is kept to a minimum. Note that these script are run in the terminal. The screenshot is of the basis set tool in ECCE, not this piece of software.
    Downloads: 0 This Week
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  • 15

    MMDS WebServices

    PHP framework for MMDS webservices

    Provides a PHP-based framework for WebServices that interoperate with the Mobile Molecular DataSheet app (for iOS and BlackBerry). The source files can be deployed on a PHP-capable web server and to provide access to chemical information services to the mobile app.
    Downloads: 0 This Week
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  • 16
    Python module for manipulation of Crystallographic Information Framework (CIF) files
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    Downloads: 0 This Week
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  • 17
    Hyperballs
    We present an improved ball and stick representation called HyperBalls. This type of depiction is particularly useful to represent dynamic phenomena, such as the evolution of non covalent bonds and takes advantage of GPU capabilities. HyperBalls are now fully integrated into the UnityMol software and are actively developed in that context. You will find the most up-to-date versions of the shaders in the http://unitymol.sourceforge.net project.
    Downloads: 0 This Week
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  • 18
    This is a continuation of the OpenGamma project by Marcelo Maduar with his permission. It is for gamma ray (radiation) spectroscopy and isotope identification. It accepts output files from several types of MCA's. Real time input will be added.
    Downloads: 0 This Week
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  • 19
    Adjusting PKL-Files derived from MS-experiments. The development of the project has been MOVED TO https://github.com/binfalse/adjustpkl
    Downloads: 0 This Week
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  • 20
    Free, multi platform NMR processing application that reads Bruker and Varian files.
    Downloads: 0 This Week
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  • 21
    A Collection of STAR/CIF processing libraries and related tools, including sub-projects: AStar, TEStar and others...
    Downloads: 0 This Week
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  • 22
    Python program for fitting rate constants to primarily kinetic data as 1st or 2nd order kinetics or autocatalysis. It also allows specific noise cancelling, data smoothing by fourrier transform, box averaging and flowing mean. For Python 2.6 or earlier.
    Downloads: 0 This Week
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  • 23
    QSAR is a project that aims to build a GUI that enables people to build quantitative structure activity (or property) relationship models. It will use parts of CDK (cdk.sf.net), JOELib (joelib.sf.net), R (www.r-project.org) and other projects.
    Downloads: 0 This Week
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  • 24
    Datagam is a tool for extracting data from output or punch files produced by GAMESS(US) or FireFly (old name PC GAMESS) packages. Mac GUI wrapper also available. Upstream version of the project goes to the launchpad. Only final versions of the source code and compiled binars will be available from this domain.
    Downloads: 0 This Week
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  • 25
    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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