Search Results for "open-shell" - Page 13
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Showing 2982 open source projects for "open-shell"
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PairPlots.jl
Beautiful and flexible vizualizations of high dimensional data
Beautiful and flexible visualizations of high-dimensional data. This package produces pair plots, otherwise known as corner plots or scatter plot matrices: grids of 1D and 2D histograms that allow you to visualize high-dimensional data. Pair plots are an excellent way to visualize the results of MCMC simulations, but are also a useful way to visualize correlations in general data tables. The default styles of this package roughly reproduce the output of the Python library corner.py for a... -
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PDFIO.jl
PDF Reader Library for Native Julia.
PDFIO is a native Julia implementation for reading PDF files. It's a 100% Julia implementation of the PDF specification. Other than a few well-established algorithms like flate decode (zlib library) or cryptographic operations (OpenSSL library) almost all of the APIs are written in native Julia. PDF files are in existence for over three decades. Implementations of the PDF writers are not always to the specification or they may even vary significantly from vendor to vendor. Every time, you... -
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DynamicHMC
Implementation of robust dynamic Hamiltonian Monte Carlo methods
Implementation of robust dynamic Hamiltonian Monte Carlo methods in Julia. In contrast to frameworks that utilize a directed acyclic graph to build a posterior for a Bayesian model from small components, this package requires that you code a log-density function of the posterior in Julia. Derivatives can be provided manually, or using automatic differentiation. Consequently, this package requires that the user is comfortable with the basics of the theory of Bayesian inference, to the extent... -
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UnROOT.jl
Native Julia I/O package to work with CERN ROOT files objects
UnROOT.jl is a reader for the CERN ROOT file format written entirely in Julia, without any dependence on ROOT or Python. -
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Lasso.jl
Lasso/Elastic Net linear and generalized linear models
Lasso.jl is a pure Julia implementation of the glmnet coordinate descent algorithm for fitting linear and generalized linear Lasso and Elastic Net models. -
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CompatHelper.jl
Automatically update the [compat] entries for your Julia dependencies
CompatHelper.jl is a Julia package which keeps your Project.toml [compat] entries up to date. -
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CausalInference.jl
Causal inference, graphical models and structure learning in Julia
Julia package for causal inference and analysis, graphical models and structure learning. This package contains code for the PC algorithm and the extended FCI algorithm, the score based greedy equivalence search (GES) algorithm, the Bayesian Causal Zig-Zag sampler and a function suite for adjustment set search. -
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Calculus.jl
Calculus functions in Julia
The Calculus package provides tools for working with the basic calculus operations of differentiation and integration. You can use the Calculus package to produce approximate derivatives by several forms of finite differencing or to produce exact derivatives using symbolic differentiation. You can also compute definite integrals by different numerical methods. -
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Roots.jl
Root finding functions for Julia
This package contains simple routines for finding roots, or zeros, of scalar functions of a single real variable using floating-point math. The find_zero function provides the primary interface. The basic call is find_zero(f, x0, [M], [p]; kws...) where, typically, f is a function, x0 a starting point or bracketing interval, M is used to adjust the default algorithms used, and p can be used to pass in parameters. Bisection-like algorithms. For functions where a bracketing interval is known... -
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React Chart.js
React components for Chart.js, the most popular charting library
React components for Chart.js, the most popular charting library. With v4, this library introduces a number of breaking changes. In order to improve performance, offer new features, and improve maintainability, it was necessary to break backwards compatibility, but we aimed to do so only when worth the benefit. You will find that any event which causes the chart to re-render, such as hover tooltips, etc., will cause the first dataset to be copied over to other datasets, causing your lines... -
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Bayesian Optimization
Python implementation of global optimization with gaussian processes
This is a constrained global optimization package built upon bayesian inference and gaussian process, that attempts to find the maximum value of an unknown function in as few iterations as possible. This technique is particularly suited for optimization of high cost functions, situations where the balance between exploration and exploitation is important. More detailed information, other advanced features, and tips on usage/implementation can be found in the examples folder. Follow the basic... -
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Sundials.jl
Julia interface to Sundials, including a nonlinear solver
This is a suite for numerically solving differential equations written in Julia and available for use in Julia, Python, and R. The purpose of this package is to supply efficient Julia implementations of solvers for various differential equations. -
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Mercury
Convert Python notebook to web app and share with non-technical users
Turn Python notebooks to web applications with open-source Mercury framework. Hide code and add interactive widgets. Non-technical users can tweak widgets and execute notebook with new parameters. The core of Mercury is Open Source under AGPLv3. We provide Mercury Pro with additional features, dedicated support and friendly commercial license. Mercury is a perfect tool to convert Python notebook to interactive web application and share with non-programmers. -
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QuantumClifford.jl
Clifford circuits, graph states, and other quantum Stabilizer tools
A Julia package for working with quantum stabilizer states and Clifford circuits that act on them. Graphs states are also supported. The package is already very fast for the majority of common operations, but there are still many low-hanging fruits performance-wise. See the detailed suggested readings & references page for background on the various algorithms. -
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SciMLBase.jl
The Base interface of the SciML ecosystem
SciMLBase.jl is the core interface definition of the SciML ecosystem. It is a low-dependency library made to be depended on by the downstream libraries to supply the common interface and allow for the interexchange of mathematical problems. The SciML common interface ties together the numerical solvers of the Julia package ecosystem into a single unified interface. It is designed for maximal efficiency and parallelism, while incorporating essential features for large-scale scientific machine... -
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InfiniteOpt.jl
An intuitive modeling interface for infinite-dimensional optimization
A JuMP extension for expressing and solving infinite-dimensional optimization problems. InfiniteOpt.jl provides a general mathematical abstraction to express and solve infinite-dimensional optimization problems (i.e., problems with decision functions). Such problems stem from areas such as space-time programming and stochastic programming. InfiniteOpt is meant to facilitate intuitive model definition, automatic transcription into solvable models, permit a wide range of user-defined... -
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HDF5.jl
Save and load data in the HDF5 file format from Julia
HDF5 stands for Hierarchical Data Format v5 and is closely modeled on file systems. In HDF5, a "group" is analogous to a directory, a "dataset" is like a file. HDF5 also uses "attributes" to associate metadata with a particular group or dataset. HDF5 uses ASCII names for these different objects, and objects can be accessed by Unix-like pathnames, e.g., "/sample1/tempsensor/firsttrial" for a top-level group "sample1", a subgroup "tempsensor", and a dataset "firsttrial". For simple types... -
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CxxWrap
Package to make C++ libraries available in Julia
This package aims to provide a Boost. Python-like wrapping for C++ types and functions to Julia. The idea is to write the code for the Julia wrapper in C++, and then use a one-liner on the Julia side to make the wrapped C++ library available there. The mechanism behind this package is that functions and types are registered in C++ code that is compiled into a dynamic library. This dynamic library is then loaded into Julia, where the Julia part of this package uses the data provided through a... -
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Graphs.jl
An optimized graphs package for the Julia programming language
The goal of Graphs.jl is to offer a performant platform for network and graph analysis in Julia, following the example of libraries such as NetworkX in Python. Offers a set of simple, concrete graph implementations – SimpleGraph (for undirected graphs) and SimpleDiGraph (for directed graphs), an API for the development of more sophisticated graph implementations under the AbstractGraph type, and a large collection of graph algorithms with the same requirements as this API. -
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billboard.js
Re-usable, easy interface JavaScript chart library based on D3.js
billboard.js is a re-usable, easy interface JavaScript chart library, based on D3.js. The name "billboard" comes from the famous "billboard chart" which everybody knows. billboard.js provides the easiest way to create a 'chart' instantly. Chart generation is super easy. With extensive options, you can create a chart instantly! Yes, billboard.js works on D3 v4+; what everybody was waiting for! All of the code was written as an ESM(ES Module) with ES6+ syntax. Combine hundreds of options to... -
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classic.tplx
A more accurate representation of jupyter notebooks
A more accurate representation of Jupyter notebooks when converting to pdfs. This template was designed to make converted Jupyter notebooks look (almost) identical to the actual notebook. If something doesn't exist in the original notebook then it doesn't belong in the conversion. As of nbconvert 5.5.0, the majority of these improvements have been merged into nbconvert's default template. Version 3.x of this package will continue to support nbconvert 5.5.0 and lower, whereas in the future... -
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Digital Earth Australia notebooks
Repository for Digital Earth Australia Jupyter Notebooks
...This documentation is designed to provide a guide to getting started with DEA, and to showcase the wide range of geospatial analyses that can be achieved using DEA data and open-source software including Open Data Cube and xarray. -
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FiniteDifferences.jl
High accuracy derivatives, estimated via numerical finite differences
FiniteDifferences.jl estimates derivatives with finite differences. See also the Python package FDM. FiniteDiff.jl and FiniteDifferences.jl are similar libraries: both calculate approximate derivatives numerically. You should definitely use one or the other, rather than the legacy Calculus.jl finite differencing, or reimplementing it yourself. At some point in the future, they might merge, or one might depend on the other. -
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Chokidar
Minimal and efficient cross-platform file watching library
Chokidar is a solution for all the users of Node.js fs.watch who are tired of it not reporting filenames on MacOS and events at all when using editors like Sublime on MacOS. Node.js fs.watch often reports events twice, emits most changes as rename, and it does not provide an easy way to recursively watch file trees nor supports recursive watching on Linux. Same as with Node.js fs.watchFile. Therefore, Chokidar resolves these problems. Initially made for Brunch (an ultra-swift web app build... -
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Molly.jl
Molecular simulation in Julia
Much of science can be explained by the movement and interaction of molecules. Molecular dynamics (MD) is a computational technique used to explore these phenomena, from noble gases to biological macromolecules. Molly.jl is a pure Julia package for MD, and for the simulation of physical systems more broadly. The package is described in a talk at Enzyme Conference 2023 and an earlier talk at the JuliaMolSim minisymposium at JuliaCon 2022. Slides are also available for a tutorial in September...
