Search Results for "open-shell" - Page 4
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Showing 2380 open source projects for "open-shell"
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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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FastGaussQuadrature.jl
Julia package for Gaussian quadrature
A Julia package to compute n-point Gauss quadrature nodes and weights to 16-digit accuracy and in O(n) time. So far the package includes gausschebyshev(), gausslegendre(), gaussjacobi(), gaussradau(), gausslobatto(), gausslaguerre(), and gausshermite(). This package is heavily influenced by Chebfun. -
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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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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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Excalidraw MCP
Fast and streamable Excalidraw MCP App
Excalidraw-MCP is an open-source Model Context Protocol (MCP) application and server that connects the visual power of Excalidraw’s hand-drawn diagram editor with AI-driven workflows, enabling agents like Claude, ChatGPT, VS Code, and other MCP-compatible hosts to generate and manipulate diagrams programmatically. Rather than being just a static whiteboard, Excalidraw-MCP serves diagrams in real time using an MCP backend and streams interactive visual output back to the client, letting AI tools create shapes, connectors, text, and entire diagrams as part of conversational or task-based sessions. ... -
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GeoInterface.jl
A Julia Protocol for Geospatial Data
This Package describe a set of traits based on the Simple Features standard (SF) for geospatial vector data, including the SQL/MM extension with support for circular geometry. Using these traits, it should be easy to parse, serialize and use different geometries in the Julia ecosystem, without knowing the specifics of each individual package. In that regard it is similar to Tables.jl, but for geometries instead of tables. -
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101-0250-00
ETH course - Solving PDEs in parallel on GPUs
This course aims to cover state-of-the-art methods in modern parallel Graphical Processing Unit (GPU) computing, supercomputing and code development with applications to natural sciences and engineering. -
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LLVM.jl
Julia wrapper for the LLVM C API
A Julia wrapper for the LLVM C API. The LLVM.jl package is a Julia wrapper for the LLVM C API, and can be used to work with the LLVM compiler framework from Julia. You can use the package to work with LLVM code generated by Julia, to interoperate with the Julia compiler, or to create your own compiler. It is heavily used by the different GPU compilers for the Julia programming language. -
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AbstractAlgebra.jl
Generic abstract algebra functionality in pure Julia
AbstractAlgebra is a pure Julia package for computational abstract algebra. It grew out of the Nemo project and provides all of the abstract types and generic implementations that Nemo relies on. It was originally developed by William Hart, Tommy Hofmann, Fredrik Johansson and Claus Fieker with contributions from others. Current maintainers are Claus Fieker, Tommy Hofmann and Max Horn. -
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Helix Toolkit
Helix Toolkit is a collection of 3D components for .NET
Helix Toolkit is an open source 3D library that is licensed under the MIT license. The MIT license is very permissive and permits use in proprietary software. The library is based on .NET and is currently focusing on the WPF platform. The goal has been to make it easy to work with 3D in WPF, and also provide features that are not included in the standard WPF 3D visual model. -
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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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MIRT.jl
MIRT: Michigan Image Reconstruction Toolbox (Julia version)
MIRT.jl is a collection of Julia functions for performing image reconstruction and solving related inverse problems. It is very much still under construction, although there are already enough tools to solve useful problems like compressed sensing MRI reconstruction. Trying the demos is a good way to get started. The documentation is even more still under construction. -
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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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QuadGK.jl
adaptive 1d numerical Gauss–Kronrod integration in Julia
This package provides support for one-dimensional numerical integration in Julia using adaptive Gauss-Kronrod quadrature. The code was originally part of Base Julia. It supports the integration of arbitrary numeric types, including arbitrary-precision (BigFloat), and even the integration of arbitrary normed vector spaces. The package provides three basic functions: quadgk, gauss, and kronrod. quadgk performs the integration, gauss computes Gaussian quadrature points and weights for... -
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CommonMark.jl
A CommonMark-compliant parser for Julia
A CommonMark-compliant parser for Julia. -
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ModelingToolkitStandardLibrary.jl
A standard library of components to model the world and beyond
The ModelingToolkit Standard Library is a standard library of components to model the world and beyond. -
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KittyTerminalImages.jl
Allows Julia to display images in the kitty terminal editor
A package that allows Julia to display images in the kitty terminal editor. -
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Finch.jl
Sparse tensors in Julia and more
Finch is a cutting-edge Julia-to-Julia compiler specially designed for optimizing loop nests over sparse or structured multidimensional arrays. Finch empowers users to write conventional for loops which are transformed behind-the-scenes into fast sparse code. -
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Functors.jl
Parameterise all the things
Functors.jl provides tools to express a powerful design pattern for dealing with large/ nested structures, as in machine learning and optimization. For large machine learning models, it can be cumbersome or inefficient to work with parameters as one big, flat vector, and structs help manage complexity; but it is also desirable to easily operate over all parameters at once, e.g. for changing precision or applying an optimizer update step. -
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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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BlockArrays.jl
BlockArrays for Julia
A block array is a partition of an array into blocks or subarrays, see Wikipedia for a more extensive description. This package has two purposes. Firstly, it defines an interface for an AbstractBlockArray block arrays that can be shared among types representing different types of block arrays. The advantage to this is that it provides a consistent API for block arrays. Secondly, it also implements two different types of block arrays that follow the AbstractBlockArray interface. The type... -
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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... -
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Enzyme.jl
Julia bindings for the Enzyme automatic differentiator
This is a package containing the Julia bindings for Enzyme. This is very much a work in progress and bug reports/discussion is greatly appreciated. Enzyme is a plugin that performs automatic differentiation (AD) of statically analyzable LLVM. It is highly-efficient and its ability perform AD on optimized code allows Enzyme to meet or exceed the performance of state-of-the-art AD tools. -
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OnlineStats.jl
Single-pass algorithms for statistics
OnlineStats does statistics and data visualization for big/streaming data via online algorithms. High-performance single-pass algorithms for statistics and data viz. Updated one observation at a time. Algorithms use O(1) memory. Algorithms use O(1) memory.
