Showing 193 open source projects for "python package"

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  • 1
    Astropy

    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.
    Downloads: 6 This Week
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  • 2
    BQSKit

    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.
    Downloads: 5 This Week
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  • 3
    NumPy

    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...
    Downloads: 136 This Week
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  • 4
    Q-CTRL Open Controls

    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.
    Downloads: 0 This Week
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  • Electronic Lab Notebook (ELN) Software Icon
    Electronic Lab Notebook (ELN) Software

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  • 5
    OpenFermion

    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...
    Downloads: 2 This Week
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  • 6
    statsmodels

    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.
    Downloads: 3 This Week
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  • 7
    FairChem

    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,...
    Downloads: 1 This Week
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  • 8
    iCn3D

    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"...
    Downloads: 4 This Week
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  • 9
    Cookiecutter Data Science

    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...
    Downloads: 5 This Week
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  • 10
    BioEmu

    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...
    Downloads: 1 This Week
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  • 11
    Physical Symbolic Optimization (Φ-SO)

    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.
    Downloads: 0 This Week
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  • 12
    Swift Numerics

    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...
    Downloads: 1 This Week
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  • 13
    PaperQA2

    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...
    Downloads: 1 This Week
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  • 14
    DifferentialEquations.jl

    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. ...
    Downloads: 5 This Week
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  • 15
    PyTorch Geometric Temporal

    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...
    Downloads: 0 This Week
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  • 16
    WavePacket (C++/Python)

    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.
    Downloads: 2 This Week
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  • 17
    OrdinaryDiffEq.jl

    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. ...
    Downloads: 1 This Week
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  • 18
    WinPython

    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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    Downloads: 4,124 This Week
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  • 19

    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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    Downloads: 59 This Week
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  • 20
    xrayutilities

    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). ...
    Downloads: 27 This Week
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  • 21

    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.
    Downloads: 0 This Week
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  • 22
    Airborne Data Processing and Analysis

    Airborne Data Processing and Analysis

    Software to processing and analyze of airborne measurements.

    The Airborne Data Processing and Analysis (ADPAA) package is an open-source software package containing a collection of programs and scripts to process and analyze data from in-situ instruments deployed on airborne platforms. The ADPAA package was started to process data on the North Dakota Citation Research Aircraft but has been used to process data on many airborne platforms. The software methodology used in ADPAA is provided in the peer-review publication: Delene, D. J., Airborne Data...
    Downloads: 6 This Week
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  • 23
    Madagascar
    Madagascar is a software package for geophysical data processing and reproducible numerical experiments. The package mission is to provide a convenient environment for researchers working with digital image and data processing in geophysics and related fields.
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    Downloads: 19 This Week
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  • 24
    DWSIM - Open Source Process Simulator

    DWSIM - Open Source Process Simulator

    Simulate chemical processes using advanced thermodynamic models

    DWSIM is an open source, CAPE-OPEN compliant chemical process simulator for Windows, Linux and macOS systems. Written in VB.NET and C#, DWSIM features a comprehensive set of unit operations, advanced thermodynamic models, support for reacting systems, petroleum characterization tools and a fully-featured graphical interface. DWSIM Pro is a commercial sibling of DWSIM built on top of open-source software. It offers extended features, comes with private support, and is accessible in the...
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    Downloads: 3,650 This Week
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  • 25
    This package is developed to perform stationary 13C metabolic flux analysis for estimation of intracellular flux distribution.
    Downloads: 0 This Week
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