Search Results for "python package"
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Showing 197 open source projects for "python package"
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Astropy
Repository for the Astropy core package
...The Anaconda Python Distribution includes Astropy and is the recommended way to install both Python and the Astropy package. The astropy package contains key functionality and common tools needed for performing astronomy and astrophysics with Python. It is at the core of the Astropy Project, which aims to enable the community to develop a robust ecosystem of affiliated packages covering a broad range of needs for astronomical research, data processing, and data analysis. -
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NumPy
The fundamental package for scientific computing with Python
Fast and versatile, the NumPy vectorization, indexing, and broadcasting concepts are the de-facto standards of array computing today. NumPy offers comprehensive mathematical functions, random number generators, linear algebra routines, Fourier transforms, and more. NumPy supports a wide range of hardware and computing platforms, and plays well with distributed, GPU, and sparse array libraries. The core of NumPy is well-optimized C code. Enjoy the flexibility of Python with the speed of... -
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BQSKit
Berkeley Quantum Synthesis Toolkit
The Berkeley Quantum Synthesis Toolkit (BQSKit) [bis • kit] is a powerful and portable quantum compiler framework. It can be used with ease to compile quantum programs to efficient physical circuits for any QPU. A standard workflow utilizing BQSKit consists of loading a program into the framework, modeling the target QPU, compiling the program, and exporting the resulting circuit. -
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Q-CTRL Open Controls
Q-CTRL Open Controls
Q-CTRL Open Controls is an open-source Python package that makes it easy to create and deploy established error-robust quantum control protocols from the open literature. The aim of the package is to be the most comprehensive library of published and tested quantum control techniques developed by the community, with easy-to-use export functions allowing users to deploy these controls on. -
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ESPResSo
The ESPResSo package
...ESPResSo is controlled through Python, which makes it flexible for custom simulation setup and analysis. Its main value is giving soft matter researchers a versatile and extensible platform for studying many-particle systems beyond simple atomistic models. -
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OpenFermion
The electronic structure package for quantum computers
OpenFermion is an open source library for compiling and analyzing quantum algorithms to simulate fermionic systems, including quantum chemistry. Among other functionalities, this version features data structures and tools for obtaining and manipulating representations of fermionic and qubit Hamiltonians. For more information, see our release paper. Currently, OpenFermion is tested on Mac, Windows, and Linux. We recommend using Mac or Linux because the electronic structure plugins are only... -
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statsmodels
Statsmodels, statistical modeling and econometrics in Python
statsmodels is a Python module that provides classes and functions for the estimation of many different statistical models, as well as for conducting statistical tests, and statistical data exploration. An extensive list of result statistics are available for each estimator. The results are tested against existing statistical packages to ensure that they are correct. -
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WavePacket (C++/Python)
Time-dependent simulation of open and closed quantum systems
Note: This package has been superseded by a Python-only package. See https://github.com/ulflor/wavepacket for the follow-up project. WavePacket is a program package for numerical simulation of quantum-mechanical wavepacket dynamics of distinguishable particles. It can be used to solve single or coupled time-independent or time-dependent (linear) Schrödinger and Liouville-von Neumann-equations. -
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PaperQA2
High accuracy RAG for answering questions from scientific documents
PaperQA2 is a package for doing high-accuracy retrieval augmented generation (RAG) on PDFs or text files, with a focus on the scientific literature. See our recent 2024 paper to see examples of PaperQA2's superhuman performance in scientific tasks like question answering, summarization, and contradiction detection. In this example we take a folder of research paper PDFs, magically get their metadata - including citation counts and a retraction check, then parse and cache PDFs into a... -
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bilingual_book_maker
Make bilingual epub books Using AI translate
...The project supports multiple AI providers and models, including OpenAI-compatible models and other translation backends through LiteLLM-style integrations. It is especially useful for public domain books, language learning, subtitle translation, and personal reading workflows. Users can run it from Python scripts or install it as a command-line package for repeated translation tasks. The repository also includes documentation, test books, prompt templates, and configuration options for customizing how translations are generated. -
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FairChem
FAIR Chemistry's library of machine learning methods for chemistry
FAIRChem is a unified library for machine learning in chemistry and materials, consolidating data, pretrained models, demos, and application code into a single, versioned toolkit. Version 2 modernizes the stack with a cleaner core package and breaking changes relative to V1, focusing on simpler installs and a stable API surface for production and research. The centerpiece models (e.g., UMA variants) plug directly into the ASE ecosystem via a FAIRChem calculator, so users can run relaxations,... -
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BioEmu
Inference code for scalable emulation of protein equilibrium ensembles
Biomolecular Emulator (BioEmu for short) is a model that samples from the approximated equilibrium distribution of structures for a protein monomer, given its amino acid sequence. By default, unphysical structures (steric clashes or chain discontinuities) will be filtered out, so you will typically get fewer samples in the output than requested. The difference can be very large if your protein has large disordered regions, which are very likely to produce clashes. BioEmu outputs structures... -
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PyTorch Geometric Temporal
Spatiotemporal Signal Processing with Neural Machine Learning Models
The library consists of various dynamic and temporal geometric deep learning, embedding, and Spatio-temporal regression methods from a variety of published research papers. Moreover, it comes with an easy-to-use dataset loader, train-test splitter and temporal snaphot iterator for dynamic and temporal graphs. The framework naturally provides GPU support. It also comes with a number of benchmark datasets from the epidemiological forecasting, sharing economy, energy production and web traffic... -
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Swift Numerics
Advanced mathematical types and functions for Swift
Swift Numerics is a foundational library that extends the Swift standard library with essential numerical protocols, types, and functions needed for scientific and systems programming. It defines generic abstractions over real and complex numbers so algorithms can be written once and work across concrete floating-point types. The package includes RealModule utilities and a full Complex type with the expected arithmetic and transcendental functions, bridging a long-standing gap for numerics... -
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iCn3D
Web-based protein structure viewer and analysis tool
"I see in 3D" (iCn3D) Structure Viewer is not only a web-based 3D viewer, but also a structure analysis tool interactively or in the batch mode using NodeJS scripts based on the npm package icn3d. iCn3D synchronizes the display of 3D structure, 2D interaction, and 1D sequences and annotations. Users' custom displays can be saved in a short URL or a PNG image. The complete package of iCn3D including Three.js and jQuery is in the directory "dist" after you get the source code with the "Code"... -
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Cookiecutter Data Science
Project structure for doing and sharing data science work
A logical, reasonably standardized, but flexible project structure for doing and sharing data science work. When we think about data analysis, we often think just about the resulting reports, insights, or visualizations. While these end products are generally the main event, it's easy to focus on making the products look nice and ignore the quality of the code that generates them. Because these end products are created programmatically, code quality is still important! And we're not talking... -
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Translation Agent
Agentic translation using reflection workflow
Translation Agent is a Python demonstration of an agentic translation workflow that uses reflection to improve machine translation quality. Instead of asking a language model for a single direct translation, it first generates a translation, then asks the model to critique it, and finally uses that critique to produce a stronger version. This structure makes the system more steerable than a traditional translation pipeline. Users can adjust prompts to control tone, formality, terminology,... -
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DifferentialEquations.jl
Multi-language suite for high-performance solvers of equations
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. The well-optimized DifferentialEquations solvers benchmark as some of the fastest implementations, using classic algorithms and ones from recent research which routinely outperform the “standard” C/Fortran methods, and include algorithms optimized for high-precision and HPC applications. ... -
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OrdinaryDiffEq.jl
High performance ordinary differential equation (ODE)
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. The well-optimized DifferentialEquations solvers benchmark as some of the fastest implementations, using classic algorithms and ones from recent research that routinely outperform the “standard” C/Fortran methods, and include algorithms optimized for high-precision and HPC applications. ... -
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WinPython
Portable Scientific Python 2/3 32/64bit Distribution for Windows
WinPython is a free open-source portable distribution of the Python programming language for Windows XP/7/8, designed for scientists, supporting both 32bit and 64bit versions of Python 2 and Python 3. Since September 2014, Developpement has moved to https://winpython.github.io/ -
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Linux GPIB Support
Linux GPIB Driver package (source)
The Linux GPIB Package is a support package for GPIB (IEEE 488.2) hardware. The package contains a development environment consisting of a GPIB library written in C, kernel driver modules, and bindings for several other languages. -
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pyphoebusalarm
A Python package to create alarm configurations for EPICS Phoebus..
A Python package to create alarm configurations for Phoebus (https://controlssoftware.sns.ornl.gov/css_phoebus) Use pip to install the package, alternatively you can run the convert_alh.py script directly. This package has two intended usages: Converting Alarm Handler configurations to Phoebus and facilitating the creation of Phoebus alarm configs with Python scripts. -
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xrayutilities
a package with useful scripts for X-ray diffraction physicists
xrayutilities is a python package used to analyze x-ray diffraction data. It can support with performing diffraction experiments and used for common steps in the data analysis. It can read experimental data from several data formats (spec, edf, xrdml, ...); convert them to reciprocal space for arbitrary goniometer geometries and different detector systems (point, linear as well as area detectors); for further processing the data can be gridded (transformed to a regular grid). ... -
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Physical Symbolic Optimization (Φ-SO)
Physical Symbolic Optimization
Physical Symbolic Optimization (Φ-SO) - A symbolic optimization package built for physics. Symbolic regression module uses deep reinforcement learning to infer analytical physical laws that fit data points, searching in the space of functional forms. -
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miRge3
Comprehensive analysis of small RNA sequencing data
An update to Python package to perform comprehensive analysis of small RNA sequencing data, including miRNA annotation, A-to-I editing, novel miRNA detection, isomiR analysis, visualization through IGV, processing Unique Molecular Identifieres (UMI), tRF detection and producing interactive graphical output. miRge3.0 is developed in python v3.8 and is a recent update of our previous version miRge2.0.
