Search Results for "open-shell" - Page 8
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Showing 2380 open source projects for "open-shell"
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StatsBase.jl
Basic statistics for Julia
StatsBase.jl is a Julia package that provides basic support for statistics. Particularly, it implements a variety of statistics-related functions, such as scalar statistics, high-order moment computation, counting, ranking, covariances, sampling, and empirical density estimation. -
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ExponentialUtilities.jl
Fast and differentiable implementations of matrix exponentials
ExponentialUtilities is a package of utility functions for matrix functions of exponential type, including functionality for the matrix exponential and phi-functions. These methods are more numerically stable, generic (thus support a wider range of number types), and faster than the matrix exponentiation tools in Julia's Base. The tools are used by the exponential integrators in OrdinaryDiffEq. The package has no external dependencies, so it can also be used independently. -
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Braket.jl
Experimental Julia implementation of the Amazon Braket SDK
Braket.jl is not an officially supported AWS product. This package is a Julia implementation of the Amazon Braket SDK allowing customers to access Quantum Hardware and Simulators. This is experimental software, and support may be discontinued in the future. For a fully supported SDK, please use the Python SDK. We may change, remove, or deprecate parts of the API when making new releases. Please review the CHANGELOG for information about changes in each release. -
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JUDI.jl
Julia Devito inversion
JUDI is a framework for large-scale seismic modeling and inversion and is designed to enable rapid translations of algorithms to fast and efficient code that scales to industry-size 3D problems. The focus of the package lies on seismic modeling as well as PDE-constrained optimization such as full-waveform inversion (FWI) and imaging (LS-RTM). Wave equations in JUDI are solved with Devito, a Python domain-specific language for automated finite-difference (FD) computations. JUDI's modeling... -
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Wflow.jl
Hydrological modeling
...Successfully applied worldwide for analyzing flood hazards, drought, climate change impacts and land use changes, wflow is growing to be a leader in hydrology solutions. Wflow is conceived as a framework, within which multiple distributed model concepts are available, which maximizes the use of open earth observation data, making it the hydrological model of choice for data-scarce environments. Based on gridded topography, soil, land use and climate data, wflow calculates all hydrological fluxes at any given grid cell in the model at a given time step. -
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CBinding.jl
Automatic C interfacing for Julia
Use CBinding.jl to automatically create C library bindings with Julia at runtime. In order to support the fully automatic conversion and avoid name collisions, the names of C types or functions are mangled a bit to work in Julia. Therefore everything generated by CBinding.jl can be accessed with the c"..." string macro to indicate that it lives in C-land. As an example, the function func above is available in Julia as c"func". It is possible to store the generated bindings to more... -
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GLFW.jl
Julia interface to GLFW, a multi-platform library for creating windows
Julia interface to GLFW 3, a multi-platform library for creating windows with OpenGL or OpenGL ES contexts and receiving many kinds of input. GLFW has native support for Windows, OS X and many Unix-like systems using the X Window System, such as Linux and FreeBSD. -
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ChaosTools.jl
Tools for the exploration of chaos and nonlinear dynamics
A Julia module that offers various tools for analyzing nonlinear dynamics and chaotic behavior. It can be used as a standalone package, or as part of DynamicalSystems.jl. All further information is provided in the documentation, which you can either find online or build locally by running the docs/make.jl file. ChaosTools.jl is the jack-of-all-trades package of the DynamicalSystems.jl library: methods that are not extensive enough to be a standalone package are added here. You should see the... -
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LaTeXStrings.jl
convenient input and display of LaTeX equation strings for Julia
This is a small package to make it easier to type LaTeX equations in string literals in the Julia language, written by Steven G. Johnson. With ordinary strings in Julia, to enter a string literal with embedded LaTeX equations you need to manually escape all backslashes and dollar signs: for example, $\alpha^2$ is written \$\\alpha^2\$. Also, even though IJulia is capable of displaying formatted LaTeX equations (via MathJax), an ordinary string will not exploit this. -
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DSP.jl
Filter design, periodograms, window functions
DSP.jl provides a number of common digital signal processing routines in Julia. -
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Pkg Julia
Package manager for the Julia programming language
Unlike traditional package managers, which install and manage a single global set of packages, Pkg is designed around “environments”: independent sets of packages that can be local to an individual project or shared and selected by name. The exact set of packages and versions in an environment is captured in a manifest file which can be checked into a project repository and tracked in version control, significantly improving reproducibility of projects. If you’ve ever tried to run code you... -
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Kibana
Your window into the Elastic Stack
Kibana is a analytics and search dashboard for Elasticsearch that allows you to visualize Elasticsearch data and efficiently navigate the Elastic Stack. With Kibana you can visualize and shape your data simply and intuitively, share visualizations for greater collaboration, organize dashboards and visualizations, and so much more. -
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RevoGrid
Powerful virtual data grid smartsheet with advanced customization
Support Millions of cells and thousands of columns easy and efficiently for fast data rendering. Easy to use. For large organizations managing massive datasets. Performance and scalability to handle even the most complex data tables. Rapid prototyping with intuitive and extendable codebase. Agility to build robust data-driven applications in no time. Quickly build elegant and efficient data grids. Lightweight yet powerful architecture lets you easily scale as your needs grow. -
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Gnuplot.jl
Julia interface to gnuplot
Gnuplot.jl is a simple package able to send both data and commands from Julia to an underlying gnuplot process. Its main purpose it to provide a fast and powerful data visualization framework, using an extremely concise Julia syntax. It also has automatic display of plots in Jupyter, Juno and VS Code. -
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FromFile.jl
Julia enhancement proposal (Julep) for implicit per file module
This package exports a macro @from, which can be used to import objects from files. The hope is that you will never have to write include again. FromFile is a Julia Language package. To install FromFile, please open Julia's interactive session (known as REPL) and press ] key in the REPL to use the package mode. -
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Fermi.jl
Fermi quantum chemistry program
Fermi.jl is a quantum chemistry framework written in pure Julia. This code is developed at the Center for Computational Quantum Chemistry at the University of Georgia under the supervision of Dr. Justin M. Turney and Prof. Henry F. Schaefer. This work is supported by the U.S. National Science Foundation under grant number CHE-1661604. Fermi focuses on post Hartree--Fock methods. Currently, only restricted references are supported. This is intended as a research code with an ever growing... -
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ResumableFunctions.jl
C# style generators a.k.a. semi-coroutines for Julia
C# has a convenient way to create iterators using the yield return statement. The package ResumableFunctions provides the same functionality for the Julia language by introducing the @resumable and the @yield macros. These macros can be used to replace the Task switching functions produce and consume which were deprecated in Julia v0.6. Channels are the preferred way for inter-task communication in Julia v0.6+, but their performance is subpar for iterator applications. -
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MLJBase.jl
Core functionality for the MLJ machine learning framework
Repository for developers that provides core functionality for the MLJ machine learning framework. MLJ is a Julia framework for combining and tuning machine learning models. This repository provides core functionality for MLJ. -
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Reduce.jl
Symbolic parser for Julia language term rewriting using REDUCE algebra
REDUCE is a portable general-purpose computer algebra system. It is a system for doing scalar, vector and matrix algebra by computer, which also supports arbitrary precision numerical approximation and interfaces to gnuplot to provide graphics. It can be used interactively for simple calculations (as illustrated in the screenshot below) but also provides a full programming language, with a syntax similar to other modern programming languages. REDUCE supports alternative user interfaces... -
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JuliaSyntax
A Julia frontend, written in Julia
A Julia compiler frontend, written in Julia. Read the documentation for more information. JuliaSyntax.jl is used as the new default Julia parser in Julia 1.10. It's highly compatible with Julia's older femtoliter-based parser - It parses all of Base, the standard libraries and the General registry. Some minor differences remain where we've decided to fix bugs or strange behaviors in the reference parser. The AST and tree data structures are usable but their APIs will evolve as we try out... -
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PyVista
3D plotting and mesh analysis through a streamlined interface
3D plotting and mesh analysis through a streamlined interface for the Visualization Toolkit (VTK). PyVista is a helper module for the Visualization Toolkit (VTK) that takes a different approach on interfacing with VTK through NumPy and direct array access. This package provides a Pythonic, well-documented interface exposing VTK’s powerful visualization backend to facilitate rapid prototyping, analysis, and visual integration of spatially referenced datasets. This module can be used for... -
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wavesurfer.js
Navigable waveform built on Web Audio and Canvas
wavesurfer.js is a customizable audio waveform visualization, built on top of Web Audio API and HTML5 Canvas. With wavesurfer.js you can create anything from an HTML5 audio player to a sophisticated DJ application. wavesurfer.js works only in modern browsers supporting Web Audio. It will fallback to Audio Element without graphics in other browsers (IE 11 and lower). You can also try wavesurfer.swf which is a Flash-based fallback. The audio will start playing as you press play. A thin line... -
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ZMQ.jl
Julia interface to ZMQ
A Julia interface to ZeroMQ. ZMQ.jl is a Julia interface to ZeroMQ, The Intelligent Transport Layer. -
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TensorBoardLogger.jl
Easy peasy logging to TensorBoard with Julia
TensorBoardLogger.jl is a native library for logging arbitrary data to Tensorboard, extending Julia's standard Logging framework. It can also be used to deserialize TensoBoard's .proto files. The fundamental type defined in this package is a TBLogger, which behaves like other standard loggers in Julia such as ConsoleLogger or TextLogger. You can create one by passing it the path to the folder where you want to store the data. You can also pass an optional second argument to specify the... -
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PDMats.jl
Uniform Interface for positive definite matrices of various structures
Uniform interface for positive definite matrices of various structures. Positive definite matrices are widely used in machine learning and probabilistic modeling, especially in applications related to graph analysis and Gaussian models. It is not uncommon that positive definite matrices used in practice have special structures (e.g. diagonal), which can be exploited to accelerate computation. PDMats.jl supports efficient computation on positive definite matrices of various structures. In...
