Search Results for "calculation"
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Showing 26 open source projects for "calculation"
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Surrogates.jl
Surrogate modeling and optimization for scientific machine learning
A surrogate model is an approximation method that mimics the behavior of a computationally expensive simulation. In more mathematical terms: suppose we are attempting to optimize a function f(p), but each calculation of f is very expensive. It may be the case we need to solve a PDE for each point or use advanced numerical linear algebra machinery, which is usually costly. The idea is then to develop a surrogate model g which approximates f by training on previous data collected from evaluations of f. -
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FiniteDifferences.jl
High accuracy derivatives, estimated via numerical finite differences
FiniteDifferences.jl estimates derivatives with finite differences. See also the Python package FDM. FiniteDiff.jl and FiniteDifferences.jl are similar libraries: both calculate approximate derivatives numerically. You should definitely use one or the other, rather than the legacy Calculus.jl finite differencing, or reimplementing it yourself. At some point in the future, they might merge, or one might depend on the other. -
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MyBox
Easy Tools of PDF, Image, File, Network, Data, and Medias
javafx-desktop-apps pdf image ocr icc barcode color-palette text bytes markdown html archive compress digest video audio editor converter media https://github.com/Mararsh/MyBox Self-contain packages need not java env nor installation. Jar packages need Java 16 or higher. -
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DeepH-pack
Deep neural networks for density functional theory Hamiltonian
DeepH-pack is the official implementation of the DeepH (Deep Hamiltonian) method described in the paper Deep-learning density functional theory Hamiltonian for efficient ab initio electronic-structure calculation and in the Research Briefing. DeepH-pack supports DFT results made by ABACUS, OpenMX, FHI-aims or SIESTA and will support HONPAS. -
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JuliaCall for Seamless Integration of R
Embed Julia in R
Package JuliaCall is an R interface to Julia, which is a high-level, high-performance dynamic programming language for numerical computing. Below is an image for Mandelbrot set. JuliaCall brings more than 100 times speedup of the calculation. -
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R-package to perform analysis of landmark based geometric morphometrics. Installation instructions: https://github.com/zarquon42b/Morpho/blob/master/README.md
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Gabedit is a Graphical User Interface for FireFly (PC-Gamess), Gamess-US, Gaussian, Molcas, Molpro, MPQC, NWChem, OpenMopac, Orca, PSI4 and Q-Chem computational chemistry packages.
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Strategems
Quantitative systematic trading strategy development and backtesting
Strategems is a Julia package aimed at simplifying and streamlining the process of developing, testing, and optimizing algorithmic/systematic trading strategies. This package is inspired in large part by the quantstrat1,2 package in R, adopting a similar general structure to the building blocks that make up a strategy. Given the highly iterative nature of event-driven trading strategy development, Julia's high-performance design (particularly in the context of loops) and straightforward... -
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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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Radiance
Highly accurate ray-tracing software system for UNIX computers
Radiance is a free, highly accurate ray-tracing software system for UNIX computers. It is a suite of programs designed for the analysis and visualization of lighting in design. Radiance is superior to simpler lighting calculation and rendering tools in that there are no limitations on the geometry or the materials that may be simulated. Scene geometry, materials, luminaires, time, date and sky conditions (for daylight calculations) are specified; spectral radiance (ie. luminance + color), irradiance (illuminance + color) and glare indices are calculated. ... -
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JPIV
Particle Image Velocimetry
JPIV is a platform independent, graphical stand-alone application for Particle Image Velocimetry (PIV) written in Java. PIV is an optical technique for measuring fluid flow velocities. JPIV moved to GitHub. Please visit us at: https://eguvep.github.io/jpiv/ -
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Calculation of camshafts - allows to define a camshaft profile on the set trajectory which should provide the given mechanism. The trajectory can be set graphically, co-ordinates or function.
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isiKnock
In silico knockouts for signaling pathways
...isiKnock is a software to automatically conduct and visualize in silico knockouts for signaling pathways (Hannig et al. 2019). isiKnock predicts the knockout behavior based on the calculation of signal flows at steady state. For an explanation of the concept of in silico knockouts, we refer to Scheidel et al. 2016 and Amstein et al. 2017. Hannig et al. (2019) isiKnock: in silico knockouts in signaling pathways, Bioinformatics, 35(5), 892–894 Amstein et al. (2017) Manatee invariants reveal functional pathways in signaling networks. ... -
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Crygr
Compare and visualize charge densities from various file formats.
This project is a small program using Qt for calculation and visualization of electron charge densities in crystals and molecules. It can create a 2D plane of charge densities or create a 1D representation of the charge densities along a given line, in both cases it can also export the graphical representations to various image formats. The program can import various file formats such as space 3D grids of charge density values, created in a quantum chemistry programs Gaussian, Crystal and VASP. ... -
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SSLTool is a Matlab based toolbox for bioelectromagnetic data (EEG/MEG) visualization, surface Laplacian calculation and modeling. It can compute surface Laplacian on realistic head surfaces given by a triangular mesh. It has a friendly GUI.
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Universal Java Matrix Package
sparse and dense matrix, linear algebra, visualization, big data
The Universal Java Matrix Package (UJMP) is an open source Java library which provides sparse and dense matrix classes, as well as a large number of calculations for linear algebra such as matrix multiplication or matrix inverse. Operations such as mean, correlation, standard deviation, replacement of missing values or the calculation of mutual information are supported, too. The Universal Java Matrix Package provides various visualization methods, import and export filters for a large number of file formats, and even the possibility to link to JDBC databases. Multi-dimensional matrices as well as generic matrices with a specified object type are supported and very large matrices can be handled even when they do not fit into memory. -
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Qi - Quantitative Imaging (PIV and more)
A collection of MATLAB tools for PIV, PTV, particle sizing, and more.
...Our Particle Image Velocimetry (PIV) tool, prana, implements a Robust Phase Correlation kernel for PIV analysis, and now includes Particle Tracking Velocimetry and sizing tools. Tools for pressure calculation, proper orthogonal decomposition (POD), and 3d imaging are under development. -
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Nuclei
Feature rich GUI for nuclear decay schemes
Nuclei is a software tool for the displaying of nuclear decay schemes and estimated energy spectra, the calculation of angular γ emission anisotropies, and the automated search for appropriate decay cascade properties. It uses the Evaluated Nuclear Structure Data Files (ENSDF). A description of Nuclei's functionality and results obtained using its search method was published in Nuclear Instruments and Methods in Physics Research, Section A: M. -
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charterix
Web based Chart calculation Tool
Calculate and create Charts Web based with real PHP Code and its Math Functions. Develope in Groups with detailed User Permissions or alone, for study purposes or just for fun. Score good Charterix Projects to bring them under the top ten. A Test-Run is available here: http://charterix.sourceforge.net -
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Free Organic Chemistry Analysis and Visualisation Tool; Chemical formula editor, calculation of threedimensional molecular structures, high-quality realtime rendering, ...
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MOPlot - visualization program for fast Molecular Orbitals Plotting (and other stuff - please, read the full description) from the outputs of the Gaussian 09-94, Molcas, Gamess/US, Firefly quantum chemical calculation packages.
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Java Data Processing Project aims to manipulate text file containing scientific data such as time/intensity scan or spectrum. Jdpp provide large flexibility to read all possible time duration and date format. It is originally design to treat MS data.
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JOELib/JOELib2 is a cheminformatics library which supports SMARTS substructure search, descriptor calculation, processing/filtering pipes, conversion of file formats, 100% pure Java, and interfaces to external programs (e.g. Ghemical) are available.
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We introduce a completely visual representation based on typed Mind Maps to represent steps of calculation for a pure untyped lambda calculator, VLM.
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This is an opensource project for the calculation of the mathematical constant Pi. If you are a mathematician or programer please contribute ideas or code for this project. Non professionals are also welcome to contribute.
