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Showing 172 open source projects for "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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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, molecular dynamics, spin-state energetics, and surface catalysis workflows with the same pretrained network by switching a task flag. ... -
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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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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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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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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 full-text search index, and finally answer the user question with an LLM agent. -
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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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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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statsmodels
Statsmodels, statistical modeling and econometrics in Python
...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. The package is released under the open source Modified BSD (3-clause) license. Generalized linear models with support for all of the one-parameter exponential family distributions. Markov switching models (MSAR), also known as Hidden Markov Models (HMM). Vector autoregressive models, VAR and structural VAR. Vector error correction model, VECM. ... -
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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 in Swift. API design follows Swift’s emphasis on value semantics and protocol-oriented programming, enabling compiler optimizations and predictable performance. The modules are factored to keep dependencies minimal and to allow adopters to pull in only what they need. ... -
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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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PyTorch Geometric Temporal
Spatiotemporal Signal Processing with Neural Machine Learning Models
...It also comes with a number of benchmark datasets from the epidemiological forecasting, sharing economy, energy production and web traffic management domains. Finally, you can also create your own datasets. The package interfaces well with Pytorch Lightning which allows training on CPUs, single and multiple GPUs out-of-the-box. PyTorch Geometric Temporal makes implementing Dynamic and Temporal Graph Neural Networks quite easy - see the accompanying tutorial. Head over to our documentation to find out more about installation, creation of datasets and a full list of implemented methods and available datasets. -
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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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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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SPPAS
SPPAS - the automatic annotation and analyses of speech
SPPAS is a scientific computer software package written and maintained by Brigitte Bigi of the Laboratoire Parole et Langage, in Aix-en-Provence, France. Available for free, with open source code, there is simply no other package for linguists to simple use in the automatic annotations of speech, the analyses of any kind of annotated data and the conversion of annotated files. -
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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. ... -
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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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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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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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Simulation of Urban MObility
SUMO is a microscopic, multi-modal traffic simulation.
SUMO is an open source, highly portable, microscopic and continuous traffic simulation package designed to handle large networks. It allows for intermodal simulation including pedestrians and comes with a large set of tools for scenario creation. The code and the issue tracker can be found at https://github.com/eclipse-sumo/sumo/ The documentation can be found at https://sumo.dlr.de/docs/ -
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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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minfx
Minfx optimisation library
The minfx project is a Python package for numerical optimisation, being a large collection of standard minimisation algorithms. The name minfx is simply a shortening of the mathematical expression min f(x). -
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This package is developed to perform stationary 13C metabolic flux analysis for estimation of intracellular flux distribution.
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Croizat
A software package for quantitative analysis in Panbiogeography
Croizat is a free, user-friendly, cross-platform desktop software package which biologists can use to integrate and analyze spatial data on species or other taxa and to explore geographical patterns in diversity under a panbiogeographic and graph-theoretic approach.
