Search Results for "open-shell" - Page 9
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Showing 2380 open source projects for "open-shell"
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LineSearches.jl
Line search methods for optimization and root-finding
Line search methods for optimization and root-finding. This package provides an interface to line search algorithms implemented in Julia. The code was originally written as part of Optim, but has now been separated out to its own package. -
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MultilayerGraphs.jl
Julia package for the creation and analysis of multilayer graphs
MultilayerGraphs.jl is a Julia package for the creation, manipulation and analysis of the structure, dynamics and functions of multilayer graphs. A multilayer graph is a graph consisting of multiple standard subgraphs called layers which can be interconnected through bipartite graphs called interlayers composed of the vertex sets of two different layers and the edges between them. The vertices in each layer represent a single set of nodes, although not all nodes have to be represented in... -
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SumOfSquares.jl
Sum of Squares Programming for Julia
SumOfSquares.jl is a JuMP extension that, when used in conjunction with MultivariatePolynomial and PolyJuMP, implements a sum of squares reformulation for polynomial optimization. -
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NBInclude.jl
import code from IJulia Jupyter notebooks into Julia programs
NBInclude is a package for the Julia language that allows you to include and execute IJulia (Julia-language Jupyter) notebook files just as you would include an ordinary Julia file. The goal of this package is to make notebook files just as easy to incorporate into Julia programs as ordinary Julia (.jl) files, giving you the advantages of a notebook (integrated code, formatted text, equations, graphics, and other results) while retaining the modularity and re-usability of .jl files. -
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CategoricalArrays.jl
Arrays for working with categorical data
This package provides tools for working with categorical variables, both with unordered (nominal variables) and ordered categories (ordinal variables), optionally with missing values. -
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Clapeyron
Framework for the development and use of fluid-thermodynamic models
Welcome to Clapeyron! This module provides both a large library of thermodynamic models and a framework for one to easily implement their own models. Clapeyron provides a framework for the development and use of fluid-thermodynamic models, including SAFT, cubic, activity, multi-parameter, and COSMO-SAC. -
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Registrator.jl
Julia package registration bot
Registrator is a GitHub app that automates the creation of registration pull requests for your Julia packages to the General registry. -
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OpenCL.jl
OpenCL Julia bindings
Julia interface for the OpenCL parallel computation API. This package aims to be a complete solution for OpenCL programming in Julia, similar in scope to PyOpenCL for Python. It provides a high level API for OpenCL to make programing hardware accelerators, such as GPUs, FPGAs, and DSPs, as well as multicore CPUs much less onerous. -
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The PyPlot module for Julia
Plotting for Julia based on matplotlib.pyplot
This module provides a Julia interface to the Matplotlib plotting library from Python, and specifically to the matplotlib.pyplot module. PyPlot uses the Julia PyCall package to call Matplotlib directly from Julia with little or no overhead (arrays are passed without making a copy). (See also PythonPlot.jl for a version of PyPlot.jl using the alternative PythonCall.jl package.) This package takes advantage of Julia's multimedia I/O API to display plots in any Julia graphical backend,... -
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Optim.jl
Optimization functions for Julia
Univariate and multivariate optimization in Julia. Optim.jl is part of the JuliaNLSolvers family. Optim.jl is a package for univariate and multivariate optimization of functions. -
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VGit
Visual git plugin for Neovim
Visual Git Plugin for Neovim to enhance your git experience. -
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BetaML.jl
Beta Machine Learning Toolkit
...All models are implemented entirely in Julia and are hosted in the repository itself (i.e. they are not wrapper to third-party models). If your favorite option or model is missing, you can try to implement it yourself and open a pull request to share it (see the section Contribute below) or request its implementation. Thanks to its JIT compiler, Julia is indeed in the sweet spot where we can easily write models in a high-level language and still have them running efficiently. -
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Catalyst.jl
Chemical reaction network and systems biology interface
Catalyst.jl is a symbolic modeling package for analysis and high-performance simulation of chemical reaction networks. Catalyst defines symbolic ReactionSystems, which can be created programmatically or easily specified using Catalyst's domain-specific language (DSL). Leveraging ModelingToolkit and Symbolics.jl, Catalyst enables large-scale simulations through auto-vectorization and parallelism. Symbolic ReactionSystems can be used to generate ModelingToolkit-based models, allowing the easy... -
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IntervalRootFinding.jl
Find all roots of a function in a guaranteed way with Julia
This package provides guaranteed methods for finding roots of functions, i.e. solutions to the equation f(x) == 0 for a function f. To do so, it uses methods from interval analysis, using interval arithmetic from the IntervalArithmetic.jl package by the same authors. The basic function is roots. A standard Julia function and an interval is provided and the roots function return a list of intervals containing all roots of the function located in the starting interval. -
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CoordinateTransformations.jl
A fresh approach to coordinate transformations
CoordinateTransformations is a Julia package to manage simple or complex networks of coordinate system transformations. Transformations can be easily applied, inverted, composed, and differentiated (both with respect to the input coordinates and with respect to transformation parameters such as rotation angle). Transformations are designed to be light-weight and efficient enough for, e.g., real-time graphical applications, while support for both explicit and automatic differentiation makes... -
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DataStructures.jl
Julia implementation of Data structures
Julia implementation of Data structures. -
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gping
Ping, but with a graph
Graphical Ping displays a color-coded realtime graph of continuous pings to a specified host. No warranties are provided on this program, it is completely free to use. Graph the execution time for a list of commands rather than pinging hosts. Resolve ping targets to IPv4 address. Resolve ping targets to IPv6 address. Uses dot characters instead of braille. Determine the number of seconds to display in the graph. Watch interval seconds (provide partial seconds like '0.5'). -
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SatelliteToolbox.jl
A toolbox for satellite analysis written in julia language
The SatelliteToolbox.jl contains a set of packages with functions to perform analysis and build simulations related to satellites. It is used on a daily basis on projects at the Brazilian National Institute for Space Research (INPE). -
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LanguageServer.jl
An implementation of the Microsoft Language Server Protocol
This package implements the Microsoft Language Server Protocol for the Julia programming language. Text editors with a client for the Language Server Protocol are able to make use of the Julia Language Server for various code editing features. -
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jlrs
Julia bindings for Rust
jlrs is a crate that provides access to most of the Julia C API, it can be used to embed Julia in Rust applications and to use functionality it provides when writing ccallable functions in Rust. Currently, this crate is only tested in combination with Julia 1.6 and 1.9, but also supports Julia 1.7, 1.8, and 1.10. Using the current stable version is highly recommended. The minimum supported Rust version is currently 1.65. Julia must be installed before jlrs can be used, jlrs is compatible... -
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Personal Management System
Your web application for managing personal data
It's easier to understand this web application when you think about a CMS (WordPress) or CRM (SugarCRM); the logic behind this system is very similar to those two. My PMS may offer fewer possibilities than those systems above, but it just does what I want it to do. Additionally, writing extensions is not too hard, depending on the logic required. Anyone with development knowledge can pretty much write their own extensions for personal needs. Keep a track of your personal goals. You can use... -
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vue-chartjs
Vue.js wrapper for Chart.js
vue-chartjs is a wrapper for Chart.js in vue. You can easily create reusable chart components. You can use vue-chartjs directly in the browser without any build setup. Like in this codepen. For this case, please use the vue-chartjs.min.js which is the minified version. You also need to add the Chart.js CDN script. Chart.js does not update or re-render the chart if new data is passed. However, you can simply implement this on your own or use one of the two mixins which are included. The... -
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ImageInTerminal.jl
Julia package for displaying images in the terminal using ANSI colors
ImageInTerminal is a drop-in package that once imported changes how a single Colorant and whole Colorant arrays (regular images) are displayed in the interactive REPL. The displayed images will be downscaled to fit into the size of your active terminal session. By default, this package will detect if your running terminal supports 24-bit colors (true colors). If it does, the image will be displayed in 24-bit colors, otherwise, it falls back to 8-bit (256 colors). -
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ScientificTypes.jl
An API for dispatching on the "scientific" type of data
This package makes a distinction between machine type and scientific type of a Julia object. The machine type refers to the Julia type being used to represent the object (for instance, Float64). The scientific type is one of the types defined in ScientificTypesBase.jl reflecting how the object should be interpreted (for instance, Continuous or Multiclass). -
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ConformalPrediction.jl
Predictive Uncertainty Quantification through Conformal Prediction
ConformalPrediction.jl is a package for Predictive Uncertainty Quantification (UQ) through Conformal Prediction (CP) in Julia. It is designed to work with supervised models trained in MLJ (Blaom et al. 2020). Conformal Prediction is easy-to-understand, easy-to-use and model-agnostic and it works under minimal distributional assumptions. Intuitively, CP works under the premise of turning heuristic notions of uncertainty into rigorous uncertainty estimates through repeated sampling or the use...
