Search Results for "structure" - Page 4
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Showing 329 open source projects for "structure"
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RMGDFT
Real Space Multigrid based electronic structure code.
...Sources are available with binaries to follow soon. News: V2.1 with many improvements released on 07/15/2016. Sources and binaries are available. RMG is a density functional theory (DFT) based electronic structure code that uses real space grids to represent wavefunctions, charge densities and ionic potentials. Designed for scaleability it has been run successfully on systems with thousands of nodes and hundreds of thousands of CPU cores. It is currently under active development and contributions are gladly accepted. -
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FiboSearch
Efficiently locate minumum of function of non-negative integer
Fibonacci search for functions! Given a real-valued function of a non-negative integer with one minimum at i in {0, 1, 2, ..., n} and no local minima, efficiently locate that minimum in log (n) time. -
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Parallel text aligner dessigned to generate transation memories (TMX files) from two files tagged with any kind of XML-based tags. The application uses the tag structure and the text blok length to perform the alignment.
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Rocstar Multiphysics Application
Parallel coupled multiphysics simulation application
Rocstar is a multiphysics simulation application designed to do fluid-structure interaction (FSI) across moving, reacting interfaces. Rocstar couples multiple domain-specific simulation packages and disparately discretized domains and provides several simulation-supporting services including conservative and accurate data transfer, surface propagation, and parallel I/O. Rocstar is MPI parallel and routinely executes large simulations on massively parallel platforms. -
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PMCGPU
Parallel simulators for Membrane Computing on the GPU
Membrane Computing is a new research area (within Natural Computing) that aims to provide computing devices abstracted from the functioning and structure of living cells. These devices are called P systems. The objective of this project (PMCGPU) is to bring together all the researchers working on the development of parallel simulators for P systems, specially those using the GPU (e.g. CUDA, OpenCL, etc). Other parallel platforms are also welcome (multicore and manycore, FPGAs, etc). ... -
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QMForge reads output from various quantum mechanical calculations and provides tools for analyzing these results. Specifically, population (Mulliken and C-squared), fragment, and charge decomposition analyses are available. See https://qmforge.net for more info.
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TI2BioP allows mainly the calculation of topological indices (spectral moments) derived from inferred and artificial 2D structures of DNA, RNA and proteins being possible to carry out a structure-function correlation irrespective of sequence alignments. TI2BioP version 3.0 is a python platform with a graphical interface designed for Windows, Linux and Mac OS.
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Olex2 is visualisation software for small-molecule crystallography developed at Durham University/EPSRC. It provides comprehensive tools for crystallographic model manipulation for the end user and an extensible development framework for programmers. The project has been supported by Olexsys Ltd since 2010.
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Sensitizer
A toolset to automate STOP analysis with Zemax OpticStudio
...The output is saved in the MATLAB file format and can be post-processed using MATLAB and/or Mathematica routines. The optical system to analyze is defined in a normal Zemax lens file. The core data structure of SENSITIZER is an optical group, which can be any optical surface in the lens file or a set of subsequent surfaces. These groups will be perturbed by varying their positions relative to the rest of the system (rigid-body-motions) and/or by adding Zernike shape deformations on their front surface. After a certain perturbation is applied, ZOS runs (sequential) raytracing to compute the optical performance such as centroid displacement or wavefront error. -
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LaueTools
open source python packages for X-ray MicroLaue Diffraction analysis
LaueTools is an open-source project for white beam Laue x-ray microdiffraction data analysis including tools in image processing, peaks searching & indexing, crystal structure solving (orientation & strain) and data & grain mapping visualisation. Python 3 Code and new features are now at: https://gitlab.esrf.fr/micha/lauetools -
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packeis
Check for selection of RNA secondary structure
PACKEIS is a software that allows us to assess whether or not a coding sequence represents an extreme solution in terms of backfolding, considering the alternative coding sequences that could have been realized by evolution in order to encode the given peptide sequence based on usage of synonymous codons. -
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Virtual Laboratory Environment
A multi-modeling and simulation environment to study complex systems
VLE is a multi-modeling and simulation environment to study complex dynamic systems. VLE is based on the discrete event specification DEVS. and it implements the DSDE formalism (A merge of Dynamic Structure DEVS, DSDEVS, with Parallel DEVS, PDEVS). VLE provides a complete set of C++ libraries, called VFL (VLE Foundation Libraries), to develop DEVS models, to gets results of simulations, to launch simulation on cluster. The models can be developed with the DEVS formalism or with the classical mathematical formalism: Ordinary Differential Equation with Euler, Range-Kutta or QSS integrator, Finite state automaton (FDDEVS, UML State chart, Hybrid Petri net). ... -
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GMOL
A tool for 3D genome structure visualization
GMOL is an application designed to visualize genome structure in 3D. It allows users to view the genome structure at multiple scales, including: global, chromosome, loci, fiber, nucleosome, and nucleotide. This software was built upon the pre-existing Jmol package by Prof. Cheng's group. The software is developed in Prof. Jianlin Cheng's Bioinformatics, Data Mining and Machine Learning Laboratory in the Computer Science Department at the University of Missouri - Columbia, USA. ... -
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Q-Rap
Q-Rap (www.QRap.org.za) is a Radio Network Planning plug-in for QGIS
Q-Rap (www.QRap.org.za) is a Radio Network Planning plug-in for QGIS (www.qgis.org) -
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CIF2Cell
Generating cells for electronic structure calculations from CIF files
CIF2Cell is a tool to generate the geometrical setup for various electronic structure codes from a CIF (Crystallographic Information Framework) file. The program currently supports output for a number of popular electronic structure programs, including ABINIT, ASE, CASTEP, CP2K, CPMD, CRYSTAL09, Elk, EMTO, Exciting, Fleur, FHI-aims, Hutsepot, MOPAC, Quantum Espresso, RSPt, Siesta, SPR-KKR, VASP. Also exports some related formats like .coo, .cfg and .xyz-files. -
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SVEditor is an Eclipse-based IDE (Integrated Development Environment) for SystemVerilog and Verilog files. It features syntax coloring, content assist, source indent and auto-indent, and structure display.
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Awesome Math
This is the Curriculum for "How to Learn Mathematics Fast"
...The materials emphasize short, high-leverage resources—video lectures, concise notes, and hands-on exercises—that help you build momentum quickly. It also suggests checkpoints and practice ideas so you can test comprehension and move forward with confidence. The structure is useful both for newcomers who want a starting plan and for practitioners filling specific gaps before tackling ML or deep learning. Overall, it acts as a compact study plan that turns “learn math” from a vague goal into a concrete, achievable path. -
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SparesPOP is a MATLAB implementation of a sparse semidefinite programming (SDP) relaxation method proposed for polynomial optimization problems (POPs). Please send a message to kojima-spop@is.titech.ac.jp if you have any question and/or request. We also release SparsePOPC++ and SparsePOPC++-windows. Both implementations are SparsePOP which does not use MATLAB, but only C++. In particular, SparsePOPC++-windows contains a binary file which works on Windows, and does not require to compile.
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ProMoVis
A Tool for Control Structure Selection in Interconnected Processes
ProMoVis is a software environment which can visualize a process system and analyze this interconnected system using the control structure selection methods. The tool s implemented as either a standalone software for industrial use or as a research version which can run within Matlab, both released under the Apache Open Source license. ProMoVis is not limited to the control structure selection problem as additional analysis methods can be added easily. For the re-use of existing models a Modelica interface is under development. ... -
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Quantum Honeycomp
Interactive program to calculate electronic properties in graphene
Calculate electronic properties of graphene-like systems with a user friendly interface. The code uses the tight binding approximation and it is able to stude in a 0D, 1D and 2D geometries, orbital and magnetic fields, intrinsic and extrinsic spin-orbit coupling, sublattice imbalance, and interactions at the mean field level. The most recent version can be found in https://github.com/joselado/quantum-honeycomp Example... -
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**CODE MOVED TO GITHUB: https://github.com/bitextor ** Bitextor is an application created to generate translation memories using multilingual websites as a corpus source. It downloads an entire website and applies a set of heuristics (based mainly on HTML tag structure and text block length) to find bitexts.
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I.S.A.A.C.S. Interactive Structure Analysis of Amorphous and Crystalline Systems is a cross-platform software developed to analyze the structural characteristics of three-dimensional models built by computer simulations.
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PRay
GUI for rayinvr modelling
...In principle it can also be used as viewer for seismic traveltime data from other software like tomo2D. Zelt, C. A. and Smith, R. B., 1992, Seismic traveltime inversion for 2-D crustal velocity structure, Geophysical Journal International, 108(1), 16--34, 10.1111/j.1365-246X.1992.tb00836.x SYSTEM/USER REQUIREMENTS: - Linux/Mac OS X - You do need to be familiar with command line operations. - a running rayinvr installation DOWNLOAD AND INSTALLATION: Please use the svn repository to download the code: svn checkout svn://svn.code.sf.net/p/pray-plot-rayinvr/code/trunk/ path/to/your/installation To install follow the instructions in the downloaded file 'install.readme' -
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BioPPSy
A biochemical property prediction system
Computationally predicts the pharmacokinetic properties of drug candidates using Quantitative Structure Property Relationships (QSPR) modelling. Assembles a set of tools and databases for predicting the physical properties of small molecules. The program models a given property's dependence on a collection of molecular and structural descriptors using a training set of molecules. Neural networks and support vector regression are available, as well as linear models. -
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RNAfdl
RNA force directed layout
RNAfdl is a highly flexible tool for drawing RNA secondary structures. Secondary structures can be visualized as classical secondary structure plot, circle plot, linear plot or mountain plot. RNAfdl allows manual editing and several drawing styles, as well as a fully automated conjugate gradients minimization approach to draw more complex structures without user interaction. In addition, RNAfdl allows you to incorporate non-canonical base pairs into drawings.