90 projects for "alpha" with 2 filters applied:

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  • 1

    SciEx

    C++ code for object-oriented formulation of scientific experiments

    Scientific experiments are formulated as objects in C++ code. The project provides header files and libraries. Particular emphasis is put on electrochemical experiments.
    Downloads: 0 This Week
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  • 2
    WavePacket (C++/Python)

    WavePacket (C++/Python)

    Time-dependent simulation of open and closed quantum systems

    Note: This package has been superseded by a Python-only package. See https://github.com/ulflor/wavepacket for the follow-up project. WavePacket is a program package for numerical simulation of quantum-mechanical wavepacket dynamics of distinguishable particles. It can be used to solve single or coupled time-independent or time-dependent (linear) Schrödinger and Liouville-von Neumann-equations. Optionally accounting for the interaction with external electric fields within the semiclassical...
    Downloads: 0 This Week
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  • 3
    ED Software project contains several programs used (mostly) for processing gas-phase electron diffraction (GED) experimental data.
    Downloads: 0 This Week
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  • 4

    CoolingPower

    Print Steam Tables; Plot diagrams and cycles from equations of state

    CoolingPower is NOT in a condition for use at this time. A couple of bugs have been discovered that severely affect the calculation accuracy. While I troubleshoot, use at your own risk. Once completed, CoolingPower will have the capability to plot diagrams of thermodynamic properties, construct Steam Tables, and plot thermodynamic cycles. Initial fluid will be water/steam, but functionality will extend to include a variety of working fluids. CoolingPower operates in GUI format and, for...
    Downloads: 0 This Week
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  • 5
    MesoRD is a stochastic and deterministic simulator of coupled chemical reactions and diffusions in space.
    Downloads: 0 This Week
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  • 6
    Downloads: 8 This Week
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  • 7
    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: 4 This Week
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  • 8
    labman2

    labman2

    A web database for experimental results of research

    A database with a web interface for storing the experimental results of research, aimed at ease of adding new types of data. Goal is to make adding as simple as one day for an unexperienced in programming scientist to add a new type of data similar to an existing type, by preparing two - three files analogues to the existing ones. An experienced programmer should need only one day to one week for adding a totally new kind of data like arrays with more dimensions that was available before.
    Downloads: 0 This Week
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  • 9
    CueMol

    CueMol

    CueMol - Molecular Visualization Framework

    CueMol - Molecular Visualization Framework based on OpenGL, Mozilla XULRunner, and javascript
    Downloads: 7 This Week
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  • 10
    pyxaid

    pyxaid

    PYthon eXtension for Ab Initio Dynamics

    Downloads: 0 This Week
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  • 11

    Mathpad

    A Python based command line math utility.

    Mathpad is a command line utility. It will later have a GUI, but not at this time.
    Downloads: 3 This Week
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  • 12

    ThermV

    Comprehensive thermal analysis software package

    ...It offers new algorithm for concurrent peak deconvolution at different heating rates and provides full kinetic analysis of these data, including isoconversional methods for Ea, determination of reaction model and full kinetic triplet, Avrami coefficients, and dimensionality of crystal growth for reactions in the solid state. The project is currently in alpha stage, where individual modules will be provided for data analysis. The modules for peak deconvolution, peak profile analysis and determination of Ea and lnA will be provided first. Full GUI will be provided in beta stage. Due to computational limitations, the code is partly programmed in Python and partly in R. Python code will eventually be fully integrated into GUI. ...
    Downloads: 0 This Week
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  • 13

    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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  • 14
    OPEN GENERAL SCIENTIFIC INTERFACES
    OPEN GENERAL SCIENTIFIC INTERFACES homepage : http://www.opengsi.org
    Downloads: 0 This Week
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  • 15
    ABFF
    Project for develop force fields with using ab-initio calculations
    Downloads: 0 This Week
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  • 16
    Downloads: 0 This Week
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  • 17
    ASCEND modelling environment
    ASCEND is a modelling environment and solver for large or small systems of non-linear equations, for use in engineering, thermodynamics, chemistry, physics, mathematics and biology. Solvers for both steady and dynamic (NLA & DAE) problems, are provid
    Downloads: 3 This Week
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  • 18
    islec

    islec

    ISL Solid-Liquid Equilibrium Calculator

    ISL Equilibrium Calculator,which process solid-liquid equilibrium calculation by using Harvie extended Pitzer's ion interaction electrolyte solution model and particle swarm optimization Gibbs free energy minimization (GEM). ISLEC is an efficient tool for solid-liquid equilibrium calculation, and can simulate the crystallization path of seawater and salt lake brines. ISLEC is suitable for related researches and process design.
    Downloads: 0 This Week
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  • 19

    nwbas2ecce

    nwbas2ecce converts nwchem basis set files to the ECCE format

    The basis sets included with ECCE have -- as far as I can tell -- not been updated for many years. 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...
    Downloads: 0 This Week
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  • 20

    libcomposition

    A C library to handle compositional (=closed) data, like proportions.

    Inspired by Aitchison 2003 (http://www.amazon.com/The-Statistical-Analysis-Compositional-Data/dp/1930665784/) this library aims to make compositional data analysis rigorously.
    Downloads: 0 This Week
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  • 21
    Electrical Impedance Tomography and Impedance Spectroscopy software that I am developing for my PhD project.
    Downloads: 0 This Week
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  • 22
    Free, multi platform NMR processing application that reads Bruker and Varian files.
    Downloads: 0 This Week
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  • 23
    Framework for uncertainty propagation in predictive models targeted for collaborative science
    Downloads: 0 This Week
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  • 24
    NOSE is a package for simulation of linear and non-linear optical and infrared spectra, including absorption, fluorescence, circular dichroism, pump-probe, photon echo and other.
    Downloads: 0 This Week
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  • 25
    A reactor solver which uses stochastic particle methods to model particle population balances. This code is developed by the CoMo group in the chemical engineering department at the university of Cambridge (como.cheng.cam.ac.uk).
    Downloads: 0 This Week
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