Showing 10 open source projects for "chemistry software"

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    Quiz/Survey/Test - QST

    Quiz/Survey/Test - QST

    A Free, complete, enterprise grade, open source exam management system

    QST, the worlds unparalleled open source online/lan assessment software. From a quick quiz on your phone to very large scale, high stakes, proctored desktop testing, we make it easy/secure/economical. Our intuitive design contains features (Immediate detailed results, Create/Export/Import/Convert Questions, WYSIWYG/Math-Chemistry/Basic Editors, Question/Item Bank, Multiple Question Types, Multiple Delivery Styles, Multiple Delivery/Results Options, Adaptive/Branching Questions, Randomly Chosen...
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    Downloads: 114 This Week
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  • 2
    silico

    silico

    Libraries and scripts for molecular modelling written in Perl

    A perl molecular toolkit designed to assist in general molecular modelling activities. Silico provides file format conversion, molecular manipulation and analysis and a simple way to write wrapper scripts around other preexisting software packages.
    Downloads: 0 This Week
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  • 3

    htcontrol

    controls high-temperature single-crystal XRD experiments using IPDSII

    htcontrol is a software to control high-temperature single crystal XRD experiments on a STOE IPDS II or 2T diffractometer platform. A Manson SDP2210 power unit is needed as well as the ICP DAS I7019 data acquisition interface (amount of investment approx. 600 EUR). htcontrol is written in Perl and runs on a cygwin platform to be installed on the WinXP/10 host. Data collections are performed with Stoe's WinXpose (>=1.7.3) via the non-interactive XML interface. For details see: J. Appl...
    Downloads: 0 This Week
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  • 4
    The Blue Obelisk Data Repository lists many important chemoinformatics data such as element and isotope properties, atomic radii, etc. including references to original literature. Developers can use this repository to make their software interoperable.
    Downloads: 9 This Week
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  • 5
    ParaSim

    ParaSim

    Parallelized calculation of molecular similarities

    ... queried datasets as persistant objects in memory for short response times. ParaSim calculates chemical similarities based on binary structural fingerprints. It does not compute fingerprints by itself but relies on third party software to do so. Basically, all types of structural fingerprints which can be stored in an array of bits (a bitset) can be used by ParaSim. See the Wiki (https://sourceforge.net/p/parasim/wiki/Documentation/) for detailed documentation. FEEDBACK HIGHLY APPRECIATED!
    Downloads: 0 This Week
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  • 6
    This project contains a custom version of the GROMACS molecular dynamics software package that helps users to choose parameters for the PME electrostatics model which produce a known error in the PME approximation for minimal computational cost.
    Downloads: 0 This Week
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  • 7
    This projects concentrates software for setting up a chemical dictionary website.
    Downloads: 0 This Week
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  • 8
    ProgPorts is an administrative and easy user interface to hundreds of proteomics, molecular dynamics, and protein crystallography programs. It is a hybrid of the prog/setup system, developed at Johns Hopkins University, and GNU-Darwin ports system.
    Downloads: 0 This Week
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  • 9
    Peptide is a project to develop an integrated software tool for Mass Spectroscopy analysis of peptides.
    Downloads: 0 This Week
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  • 10
    wacrgEIS is software developed for the West Australian Corrosion Research Group (wacrg) for analysis of Electrochemical Impedance Spectroscopy (EIS) data.
    Downloads: 0 This Week
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