Showing 93 open source projects for "molecule"

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  • 1
    OpenThermo

    OpenThermo

    Statistical thermodynamics package

    OpenThermo is a program package for statistical thermodynamics computations beyond rigid rotor - harmonic oscillator approximation
    Downloads: 0 This Week
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  • 2
    An editor for small organic molecules, written in C using gtk+. It can read and write SMILES and cml and can save to dia's file format. It is suitable for creating chemical molecule diagrams for lower level chemistry/ochem lab reports.
    Downloads: 1 This Week
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  • 3
    .NET version of RNAiSelect for high-troughput RNAi molecule analysis
    Downloads: 0 This Week
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  • 4
    Optical trap control software. This project provides an example LabVIEW software program to perform data acquisition and feedback control of optical tweezers, especially for single-molecule biophysics experiments.
    Downloads: 0 This Week
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  • 5
    Electron diffraction code for the simulation and data analysis of keV electron-molecule scattering.
    Downloads: 0 This Week
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  • 6
    Formula C Racing is an educational board game that trains students in calculating chemistry relative molecule mass. The rules are similar to "Snakes and ladders" but players are required to enter the correct answer to make each move.
    Downloads: 0 This Week
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  • 7
    It is a commandline tool to manipulate .xyz molecule files.
    Downloads: 0 This Week
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  • 8
    NanoComp is a simulator of molecule cascades, intended to help design and check logic circuits using this technology.
    Downloads: 1 This Week
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  • 9
    A tool to calculate atoms exposition to a probe in a three dimensional molecule structure.
    Downloads: 0 This Week
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  • 10
    Mendeleev is a molecular weight calculator for PalmOS devices. Operation is simple -- just enter the formula for the molecule, and the molecular weight will be displayed.
    Downloads: 0 This Week
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  • 11
    Solubility provides a GUI allowing users to develop regression models to predict the aqueous solubility of a molecule. Users can choose or create descriptors and/or atomic typing parameters, train the model, and apply it to large databases. 100% Java.
    Downloads: 0 This Week
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  • 12
    This project aims to develop teaching aids for group theory in chemistry. It consists of two parts: SyMM a backend which determines the point group of a molecule and glSyMM which allows one to display the symmetry opperations on a molecule using OpenGL.
    Downloads: 0 This Week
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  • 13
    OpenChem Workbench is an enterprise software suite designed for creating, saving, searching, and exchanging chemical data. It uses existing tools (NIST, Gaussian, CHEMKIN) and its own (easy molecule building, mechanism management, group additivity, etc.)
    Downloads: 0 This Week
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  • 14
    A Java program to parse chemical names using IUPAC nomenclature. The output can be either a visualisation of the molecule, or in a form for other programs to use (e.g. CML).
    Downloads: 0 This Week
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  • 15
    Molecule aims to serve your home datas through a web browser (songs, photos, contacts, tasks,...).
    Downloads: 0 This Week
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  • 16
    The program fuses 2 sets of molecules. It tries different relative positions of molecules before binding them, so that there is no or minimal intersection in the resulting molecule. The atom to be fused in a molecule is labeled with an R symbol.
    Downloads: 0 This Week
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  • 17
    QGAMESS is a queuing program for the popular molecule mechnanics program GAMESS, the General Atomic and Molecular Electronic Structure System. QGAMESS is a cross-platform replacement for GTK-Gamess.
    Downloads: 0 This Week
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  • 18
    This software screens a given peak list against web based NMR databases (nmrshiftdb, HMDB...) and return possible molecules. It also take a given molecule to return expected peaks list.
    Downloads: 0 This Week
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