Search Results for "open-shell" - Page 57
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Showing 2178 open source projects for "open-shell"
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Translates OpenFOAM (Open Source CFD Toolbox, see http://sourceforge.net/projects/foam) data into MED format (see http://www.code-aster.org/outils/med). The initial goal to develop this utility was to be able integrate OpenFOAM functionality with SALOME
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Remotely monitor and control a network.
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IFoam is an OpenFOAM derived framework. It uses Python programming language for definition of its API. Itegrates visual components for limited post-processing. Provides access to some GUI components for more efficient set up the simulation cases.
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The Microchip PICkit 2 has the ability to act as a logic analyzer and I/O probe. This project provides a reverse engineered libusb user space device driver and GUI to provide this functionality for users of unsupported operating systems.
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Codecracker is an automated judge that is used to run coding contests. It is developed by the GNU/Linux Users' Group of NIT Durgapur, India.
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BASILISK is a probabilistic model of the conformational space of amino acid side chains in proteins. Unlike rotamer libraries, BASILISK models the chi angles in continuous space, including the influence of the protein's backbone.
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Functions to convert to and from decimal to Canonical Signed Digit representation. Handles fractional numbers. Useful for multiplierless hardware blocks on ASICs, FPGAs etc.
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This program generates customizable hyper-surfaces (multi-dimensional input and output) and samples data from them to be used further as benchmark for response surface modeling tasks or optimization algorithms.
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The C Protein Folding Library is a minimalistic, high-performance modular library of C functions and data structures for computing folding simulations of proteins on a wide variety of computer hardware.
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PTools : a C++/Python library for macromolecular docking
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The Location Containment Object Model(LCOM) is a simulation framework written in Python. LCOM provides a rule-based solution to handling partial object containment, object migration, message passing, and simulation observation.
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This Python 3.1 tool manipulates the coordinate system of CNC GCODE for machining or engraving. It can Flip X, Y, or Z coordinates, mirror X, Y, or Z coordinates, flip or Mirror both XY coordinates, or insert Z motions into a GCODE file devoid of them.
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Python driver interface for Scientific CCD cameras produced by Apogee Instruments Inc. Currently only usb cameras are supported.
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FreeBrain will be an application for the analysis of 2D neurophysiological signals, like heart-rate, EEG or eyemovements. It is aimed at those who want intuitive or free software and those who want a customizeble tool that can handle mixed datasets.
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PuLP: An LP modeller in Python PuLP is an LP modeller written in python. PuLP can generate MPS or LP files and call GLPK, COIN CLP/CBC, CPLEX and XPRESS to solve linear problems.
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MC Traffic es un software que modela el tráfico de la Ciudad de México. Escrito principalmente en Python y Pygame, MC Traffic permite usar imágenes descargadas de Google Maps para hacer simulaciones controladas.
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DANGLE: A Bayesian inferential prediction method for protein backbone dihedral angles and secondary structure assignments, solely from sequence information, experimental chemical shifts and a database of known protein structures and their shifts.
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A cross-platform library that computes fast and accurate SIFT image features. libsiftfast provides Octave/Matlab scripts, a command line interface, and a python interface (siftfastpy). Optimized with SIMD instructions and OpenMP .
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Diamond is a confocal scanner written in python / Qt4. It combines an intuitive gui with flexible hardware abstraction classes. It is directed primarily towards quantum information processing (QIP) with single NV centers in diamond.
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Programs to download and work with satellite measurements, calculate solar wind (SW) propagation time and compare data to other satellites. It uses and compares different modern techniques to determine the SW planar structures orientation.
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Improved version of the LibNumTh library (http://libnumth.sourceforge.net/), reimplementing its methods to work concurrently in a SMP environment. In addition, it is extended with support for linear algebra and numerical methods mechanisms.
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Astronomical library for photometric distances calculation. Implemented different extinction models. Pure Python inside.
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BARNACLE is a Python library for RNA 3D structure prediction. It can be used for probabilistic sampling of RNA structures that are compatible with a given nucleotide sequence and that are RNA like on a local length scale.
