Search Results for "open-shell" - Page 21
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Showing 2380 open source projects for "open-shell"
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libCEED
CEED Library: Code for Efficient Extensible Discretizations
libCEED provides fast algebra for element-based discretizations, designed for performance portability, run-time flexibility, and clean embedding in higher-level libraries and applications. It offers a C99 interface as well as bindings for Fortran, Python, Julia, and Rust. While our focus is on high-order finite elements, the approach is mostly algebraic and thus applicable to other discretizations in factored form, as explained in the user manual and API implementation portion of the... -
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ProximalOperators.jl
Proximal operators for nonsmooth optimization in Julia
Proximal operators for nonsmooth optimization in Julia. This package can be used to easily implement proximal algorithms for convex and nonconvex optimization problems such as ADMM, the alternating direction method of multipliers. With using ProximalOperators the package exports the prox and prox! methods to evaluate the proximal mapping of several functions. -
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Bootstrap.jl
Statistical bootstrapping library for Julia
Bootstrapping is a widely applicable technique for statistical estimation. -
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Mjograph is an XY (2D) graph editor that runs on Mac OSX and Java with the goal to provide researchers with a quick way to visualize numerical data and also create publication-quality plots.
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OmicsSuite
OmicsSuite: a suite for multi-omics analysis and visualization.
OmicsSuite (https://github.com/OmicsSuite/, https://omicssuite.github.io), original name BioSciTools, a desktop program developed based on Java 11, aims to make new exploration and contribution to the development of bioinformatics, and realize data analysis and visualization in the fields of sequence analysis, multimomics (transcriptomics, genomics, protein omics, metabonomics, single cell), microbiology, clinical, etc. The program inherits the excellent interactive components, perfect... -
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IndexedTables.jl
Flexible tables with ordered indices
IndexedTables provides tabular data structures where some of the columns form a sorted index. It provides the backend to JuliaDB, but can be used on its own for efficient in-memory data processing and analytics. -
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FreeMind
A premier mind-mapping software written in Java
A mind mapper, and at the same time an easy-to-operate hierarchical editor with strong emphasis on folding. These two are not really two different things, just two different descriptions of a single application. Often used for knowledge and content management. -
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Octo.jl
Octo.jl is an SQL Query DSL in Julia
Octo.jl is an SQL Query DSL in Julia. It also comes with a very useful tool called Repo. You could Repo.get, Repo.insert! Repo.update! Repo.delete! for many database drivers without hand-written SQL. -
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StatProfilerHTML.jl
Show Julia profiling data in an explorable HTML page
This module formats the output from Julia's Profile module into an html rendering of the source function lines and functions, allowing for interactive exploration of any bottlenecks that may exist in your code. -
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FastAI.jl
Repository of best practices for deep learning in Julia
FastAI.jl is a Julia library for training state-of-the-art deep learning models. From loading datasets and creating data preprocessing pipelines to training, FastAI.jl takes the boilerplate out of deep learning projects. It equips you with reusable components for every part of your project while remaining customizable at every layer. FastAI.jl comes with support for common computer vision and tabular data learning tasks, with more to come. -
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SGraph
Create charts by retrieving data from Stata on-the-fly
SGraph is a web application that interacts with Stata for creating graphs. It is a demo application that demostrates how to exploit SWire for creating web applications that communicate with Stata. SGraph is an open source project and you can download the code from the project web site web site or try the app on-line here: http://sgraph-with-swire.sourceforge.net/ The source project is hosted in GitHub: https://github.com/lomagno/sgraph -
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MeasureTheory.jl
"Distributions" that might not add to one.
Probabilistic programming and statistical computing are vibrant areas in the development of the Julia programming language, but the underlying infrastructure dramatically predates recent developments. The goal of MeasureTheory.jl is to provide Julia with the right vocabulary and tools for these tasks. In this package we introduce well-chosen foundational primitives centered around the notion of measure, density and conditional probability with powerful combinators and transforms intended to... -
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AbstractFFTs.jl
A Julia framework for implementing FFTs
A general framework for fast Fourier transforms (FFTs) in Julia. This package is mainly not intended to be used directly. Instead, developers of packages that implement FFTs (such as FFTW.jl or FastTransforms.jl) extend the types/functions defined in AbstractFFTs. This allows multiple FFT packages to co-exist with the same underlying fft(x) and plan_fft(x) interface. -
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flot
Attractive JavaScript charts for jQuery
Flot is a pure JavaScript plotting library for jQuery, with a focus on simple usage, attractive looks and interactive features. Works with Internet Explorer 6+, Chrome, Firefox 2+, Safari 3+ and Opera 9.5+. Additional examples are bundled with Flot. Also take a look at the Flot Usage Wiki for screenshots and stories from people and companies using Flot. Take a look at the the examples in examples/index.html; they should give a good impression of what flot can do, and the source code of the... -
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VectreViewer: A vector-based file viewer
A Windows-based viewer currently supporting CDR & 2D DXF files
This is a Windows-based wireframe viewer currently designed for CDR & 2D R12 DXF files. The DXF renderer supports arcs, circles, lines and polylines. Support for SVG files is coming shortly. Go here to check for updates: https://www.vvwr.net -
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SciMLBenchmarks.jl
Benchmarks for scientific machine learning (SciML) software
SciMLBenchmarks.jl holds webpages, pdfs, and notebooks showing the benchmarks for the SciML Scientific Machine Learning Software ecosystem. -
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WhereTraits.jl
Traits for julia: dispatch on whatever you want using where syntax
Welcome to WhereTraits.jl. This package exports one powerful macro @traits with which you can extend Julia's where syntax in order to support traits definitions. In addition, WhereTraits comes with a standardized way how to resolve ambiguities among traits, by defining an order among the traits with @traits_order. Under the hood @traits uses normal function dispatch to achieve the speed and flexibility, however, julia function dispatch can lead to ambiguities. With traits these can easily... -
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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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jOcular
Optical Design Software for simulating systems of lenses, prisms, etc.
Optical Design Software for optical systems comprised of light sources, lenses, apertures, prisms, imagers, photometers, etc. Simulate light through the system and compute images and intensities at various locations in the design. -
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Parameters.jl
Types w/ default field values, keyword constructors, (un-)pack macros
This is a package I use to handle numerical-model parameters, thus the name. However, it should be useful otherwise too. -
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GTB: Graphics Toolbox
C++ libraries and apps for computer graphics and data visualization
The Graphics Toolbox (GTB) is a collection of C++ libraries and apps for computer graphics and data visualization. Wagner Correa initially created GTB as part of his Ph.D. research at Princeton University in collaboration with Professor Claudio Silva and Dr. James Klosowski. Several other researchers later contributed to GTB (see the AUTHORS file). -
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Kinetic.jl
Universal modeling and simulation of fluid mechanics upon ML
Kinetic is a computational fluid dynamics toolbox written in Julia. It aims to furnish efficient modeling and simulation methodologies for fluid dynamics, augmented by the power of machine learning. Based on differentiable programming, mechanical and neural network models are fused and solved in a unified framework. Simultaneous 1-3 dimensional numerical simulations can be performed on CPUs and GPUs. -
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DataVoyager.jl
Julia wrapper for the Voyager data exploration tool
This package provides Julia integration for the Voyager data exploration tool. DataVoyager.jl can be used for data exploration. It can help you visualize and understand any data that is in a tabular format. -
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TexGen is a geometric textile modelling software package to be used for obtaining engineering properties of woven textiles and textile composites. Citing TexGen We would be grateful if you could acknowledge use of TexGen where appropriate and suggest using one of the following references: L P Brown and A C Long. "Modelling the geometry of textile reinforcements for composites: TexGen", Chapter 8 in "Composite reinforcements for optimum performance (Second Edition)", ed. P Boisse,...
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ipyvolume
3d plotting for Python in the Jupyter notebook
3d plotting for Python in the Jupyter notebook based on IPython widgets using WebGL. Create quiver plots (like scatter, but with an arrow pointing in a particular direction). Render in the Jupyter notebook, or create a standalone html page (or snippet to embed in your page). Render in stereo, for virtual reality with Google Cardboard. Animate in d3 style, for instance, if the x coordinates or color of a scatter plots changes. Animations / sequences, all scatter/quiver plot properties can be...
