Search Results for "open-shell" - Page 4
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Showing 2982 open source projects for "open-shell"
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Compat.jl
Compatibility across Julia versions
The Compat package is designed to ease interoperability between older and newer versions of the Julia language. In particular, in cases where it is impossible to write code that works with both the latest Julia master branch and older Julia versions, or impossible to write code that doesn't generate a deprecation warning in some Julia version, the Compat package provides a macro that lets you use the latest syntax in a backward-compatible way. This is primarily intended for use by other... -
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Nemo.jl
Julia bindings for various mathematical libraries (including flint2)
Nemo is a computer algebra package for the Julia programming language. It aims to cover commutative algebra, number theory and group theory. Julia bindings for various mathematical libraries (including flint2) -
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Arrow Julia
Official Julia implementation of Apache Arrow
This is a pure Julia implementation of the Apache Arrow data standard. This package provides Julia AbstractVector objects for referencing data that conforms to the Arrow standard. This allows users to seamlessly interface Arrow formatted data with a great deal of existing Julia code. -
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Krylov.jl
A Julia Basket of Hand-Picked Krylov Methods
If you use Krylov.jl in your work, please cite it using the metadata given in CITATION.cff. -
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MultivariateStats.jl
A Julia package for multivariate statistics and data analysis
A Julia package for multivariate statistics and data analysis (e.g. dimensionality reduction). -
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DFTK.jl
Density-functional toolkit
The density-functional toolkit, DFTK for short, is a collection of Julia routines for experimentation with plane-wave density-functional theory (DFT). The unique feature of this code is its emphasis on simplicity and flexibility with the goal of facilitating algorithmic and numerical developments as well as interdisciplinary collaboration in solid-state research. -
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DynamicalSystems.jl
Award winning software library for nonlinear dynamics timeseries
DynamicalSystems.jl is an award-winning Julia software library for nonlinear dynamics and nonlinear time series analysis. To install DynamicalSystems.jl, run import Pkg; Pkg.add("DynamicalSystems"). To learn how to use it and see its contents visit the documentation, which you can either find online or build locally by running the docs/make.jl file. DynamicalSystems.jl is part of JuliaDynamics, an organization dedicated to creating high-quality scientific software. All implemented algorithms... -
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JuliaWorkshop
Intensive Julia workshop that takes you from zero to hero
This is an intensive workshop for the Julia language, composed out of three 2-hour segments. It targets people already familiar with programming, so that the established basics such as for-loops are skipped through quickly and efficiently. Nevertheless, it assumes only rudimentary programming familiarity and does explain concepts that go beyond the basics. The goal of the workshop is to take you from zero to hero (regarding Julia): even if you know nothing about Julia, by the end you should... -
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Rotations.jl
Julia implementations for different rotation parameterizations
3D rotations made easy in Julia. This package implements various 3D rotation parameterizations and defines conversions between them. At their heart, each rotation parameterization is a 3×3 unitary (orthogonal) matrix (based on the StaticArrays.jl package), and acts to rotate a 3-vector about the origin through matrix-vector multiplication. While the RotMatrix type is a dense representation of a 3×3 matrix, we also have sparse (or computed, rather) representations such as quaternions,... -
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Tullio.jl
Tullio is a very flexible einsum macro
Tullio is a very flexible einsum macro. It understands many array operations written in index notation -- not just matrix multiplication and permutations, but also convolutions, stencils, scatter/gather, and broadcasting. Used by itself the macro writes ordinary nested loops much like Einsum.@einsum. One difference is that it can parse more expressions, and infer ranges for their indices. Another is that it will use multi-threading (via Threads.@spawn) and recursive tiling, on large enough arrays. -
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Observable Plot
A concise API for exploratory data visualization
Observable Plot is a free, open-source JavaScript library to help you quickly visualize tabular data. It has a concise and (hopefully) memorable API to foster fluency — and plenty of examples to learn from and copy-paste. In the spirit of show don’t tell, below is a scatterplot of the height and weight of Olympic athletes (sourced from Matt Riggott), constructed using a dot mark. -
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InferOpt.jl
Combinatorial optimization layers for machine learning pipelines
InferOpt.jl is a toolbox for using combinatorial optimization algorithms within machine learning pipelines. It allows you to create differentiable layers from optimization oracles that do not have meaningful derivatives. Typical examples include mixed integer linear programs or graph algorithms. -
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Polyhedra
Polyhedral Computation Interface
Polyhedra provides an unified interface for Polyhedral Computation Libraries such as CDDLib.jl. This manipulation notably includes the transformation from (resp. to) an inequality representation of a polyhedron to (resp. from) its generator representation (convex hull of points + conic hull of rays) and projection/elimination of a variable with e.g. Fourier-Motzkin. -
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PowerSystems.jl
Data structures in Julia to enable power systems analysis
The PowerSystems.jl package provides a rigorous data model using Julia structures to enable power systems analysis and modeling. In addition to stand-alone system analysis tools and data model building, the PowerSystems.jl package is used as the foundational data container for the PowerSimulations.jl and PowerSimulationsDynamics.jl packages. PowerSystems.jl supports a limited number of data file formats for parsing. -
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Matplot++
Matplot++: A C++ Graphics Library for Data Visualization
Data visualization can help programmers and scientists identify trends in their data and efficiently communicate these results with their peers. Modern C++ is being used for a variety of scientific applications, and this environment can benefit considerably from graphics libraries that attend the typical design goals toward scientific data visualization. Besides the option of exporting results to other environments, the customary alternatives in C++ are either non-dedicated libraries that... -
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DiffOpt.jl
Differentiating convex optimization programs w.r.t. program parameters
DiffOpt.jl is a package for differentiating convex optimization programs (JuMP.jl or MathOptInterface.jl models) with respect to program parameters. Note that this package does not contain any solver. This package has two major backends, available via the reverse_differentiate! and forward_differentiate! methods, to differentiate models (quadratic or conic) with optimal solutions. Differentiable optimization is a promising field of convex optimization and has many potential applications in... -
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ArgParse.jl
Package for parsing command-line arguments to Julia programs
ArgParse.jl is a package for parsing command-line arguments to Julia programs. -
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ECharts
A powerful, interactive charting and visualization library for browser
ECharts is a free and open source charting and visualization library that gives you an easy way to add interactive, intuitive, custom charts to your commercial products, projects, presentations and more. It offers a rich set of features that includes rendering ability for ten-million-level data, Wechart and Powerpoint support, multi-dimension data analysis, and more. -
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SuiteSparseGraphBLAS.jl
Sparse, General Linear Algebra for Graphs
A fast, general sparse linear algebra and graph computation package, based on SuiteSparse:GraphBLAS. -
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Coluna.jl
Branch-and-Price-and-Cut in Julia
Coluna is a branch-and-price-and-cut framework written in Julia. You write an original MIP that models your problem using the JuMP modeling language and our specific extension BlockDecomposition offers a syntax to specify the problem decomposition. Then, Coluna reformulates the original MIP and optimizes the reformulation using the algorithms you choose. Coluna aims to be very modular and tweakable so that you can define the behavior of your customized branch-and-price-and-cut algorithm. -
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LibPQ.jl
A Julia wrapper for libpq
LibPQ.jl is a Julia wrapper for the PostgreSQL libpq C library. -
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FFTW.jl
Julia bindings to the FFTW library for fast Fourier transforms
This package provides Julia bindings to the FFTW library for fast Fourier transforms (FFTs), as well as functionality useful for signal processing. These functions were formerly a part of Base Julia. Users with a build of Julia based on Intel's Math Kernel Library (MKL) can use MKL for FFTs by setting a preference in their top-level project by either using the FFTW.set_provider!() method, or by directly setting the preference using Preferences.jl. Note that this choice will be recorded for... -
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GPUArrays
Reusable array functionality for Julia's various GPU backends
Reusable GPU array functionality for Julia's various GPU backends. This package is the counterpart of Julia's AbstractArray interface, but for GPU array types: It provides functionality and tooling to speed-up development of new GPU array types. This package is not intended for end users! Instead, you should use one of the packages that builds on GPUArrays.jl, such as CUDA.jl, oneAPI.jl, AMDGPU.jl, or Metal.jl. -
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DataFramesMeta.jl
Metaprogramming tools for DataFrames
Metaprogramming tools for DataFrames.jl objects to provide more convenient syntax. DataFrames.jl has the functions select, transform, and combine, as well as the in-place select! and transform! for manipulating data frames. DataFramesMeta.jl provides the macros @select, @transform, @combine, @select!, and @transform! to mirror these functions with more convenient syntax. Inspired by dplyr in R and LINQ in C#. -
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Charts.css
Open source CSS framework for data visualization
Charts.css is a modern CSS framework. It uses CSS utility classes to style HTML elements as charts. No dependencies. 72kb file size. Less than 6kb gzipped file size! Visualization helps end-users understand data. Charts.css help frontend developers turn data into beautiful charts and graphs using simple CSS classes. The data is structured using semantic HTML tags and styled using CSS classes which change the visual representation displayed to the end-user. The framework offers developers...
