OpenScience / Software



QuTiP: Quantum Toolbox in Python

Posted on June 17, 2012 by Dan Gezelter

QuTiP is open-source software for simulating the dynamics of open quantum systems. The QuTiP library depends on the excellent Numpy and Scipy numerical packages. In addition, graphical output is provided by Matplotlib. QuTiP aims to provide user-friendly and efficient numerical … Continue reading →

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Molekel

Posted on May 19, 2012 by Dan Gezelter

Molekel is an open-source multi-platform molecular visualization program. Find Molekel at: http://molekel.cscs.ch/wiki/pmwiki.php

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Posted in Molecule Viewers and Editors | Leave a comment

cuteNMR

Posted on May 19, 2012 by Dan Gezelter

NMR processing software using the Qt framework. Currently only 1D. Find cuteNMR at: http://cutenmr.sourceforge.net/

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rNMR

Posted on May 19, 2012 by Dan Gezelter

rNMR is an open source software package for visualizing and interpreting one and two dimensional NMR data. In contrast to most existing 2D NMR software, rNMR is specifically designed for high-throughput assignment and quantification of small molecules. As a result, … Continue reading →

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XDAT: A Tool to plot Parallel Coordinates

Posted on April 26, 2012 by Dan Gezelter

XDAT (x-dimensional data analysis tool) reads column-based data in text / csv format and plots it using parallel coordinates. It is written in Java and released under the GPL. Find XDAT: A Tool to plot Parallel Coordinates at: http://www.xdat.org/

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Posted in 2D Plotting | Leave a comment

Quantum ESPRESSO

Posted on February 29, 2012 by Dan Gezelter

Quantum ESPRESSO is an integrated suite of Open-Source computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials. Find Quantum ESPRESSO at: http://www.quantum-espresso.org/

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Icy

Posted on January 4, 2012 by Dan Gezelter

Icy is an image analysis software primarily targeted at biological needs. It provides high-quality tools for biological image processing tasks, such as filtering (linear, nonlinear, morphological, etc.), cell segmentation, particles detection, tracking, multiple-class thresholding, measurements, microscope control, etc. It is … Continue reading →

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cadnano

Posted on November 21, 2011 by Dan Gezelter

Cadnano simplifies and enhances the process of designing three-dimensional DNA origami nanostructures. Through its user-friendly 2D and 3D interfaces it accelerates the creation of arbitrary designs. The embedded rules within Cadnano paired with the finite element analysis performed by cando, … Continue reading →

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Puma-EM

Posted on April 26, 2011 by Dan Gezelter

Puma-EM is a code that allows the computation of various electromagnetic quantities when a target is excited by an electromagnetic source. These quantities are the scattered fields and the currents on the surface of the target. It can compute: monostatic … Continue reading →

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Maxima

Posted on April 25, 2011 by Dan Gezelter

Maxima is a system for the manipulation of symbolic and numerical expressions, including differentiation, integration, Taylor series, Laplace transforms, ordinary differential equations, systems of linear equations, polynomials, and sets, lists, vectors, matrices, and tensors. Maxima yields high precision numeric results … Continue reading →

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Posted in Mathematics | Leave a comment