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Scientific Computing Libraries

Libraries for numerical and scientific computation, simulation, and advanced mathematical analysis.

116 projects

91,464 contributors

$2.9B

Most contributors

Pandas

Flexible and powerful data analysis / manipulation library for Python, providing labeled data structures similar to R data.frame objects, statistical functions, and much more

Contributors

23,017

Organizations

3,523

Software value

$25M

NumPy

NumPy is a Python library for numerical computing, providing support for multi-dimensional arrays, mathematical functions, and efficient operations on large datasets.

Contributors

9,958

Organizations

2,254

Software value

$24M

SciPy

SciPy is a Python library that builds on NumPy to provide advanced algorithms for scientific computing, including optimization, integration, signal processing, and linear algebra.

Contributors

9,918

Organizations

2,051

Software value

$30M

SymPy

SymPy is a Python library for symbolic mathematics that provides computer algebra system (CAS) capabilities. It enables users to perform symbolic calculations, algebraic manipulations, calculus operations, and mathematical computations with exact precision rather than numerical approximations.

Contributors

6,095

Organizations

1,029

Software value

$25M

JAX

JAX is a high-performance numerical computing and machine learning library that combines Numpy's familiar API with GPU and TPU hardware acceleration. It features automatic differentiation, just-in-time compilation, and enables writing transformable numerical programs.

Contributors

6,035

Organizations

1,109

Software value

$20M

Dask

Dask is a flexible parallel computing library for analytics that provides dynamic task scheduling optimized for computation and integrates with Python data science libraries like NumPy, Pandas and Scikit-learn. It enables parallel and distributed computing through intuitive APIs and scales Python code from multi-core machines to clusters.

Contributors

3,561

Organizations

904

Software value

$6.9M

statsmodels

Statsmodels is a Python library for statistical modeling and econometrics that provides classes and functions for estimating various statistical models, conducting statistical tests, and exploring statistical data. It includes linear regression models, time series analysis, discrete choice models, and many other statistical methods.

Contributors

3,363

Organizations

605

Software value

$24M

xarray

Xarray is a Python library that introduces labeled arrays and datasets, extending NumPy's capabilities by adding coordinates, dimensions, and attributes to N-dimensional arrays. It enables working with multi-dimensional data by providing data structures and operations for labeled arrays, making it particularly useful for scientific computing and analysis of structured data like climate and weather data.

Contributors

2,948

Organizations

693

Software value

$6.5M

Astropy

Astropy is a core package for astronomy in Python that provides tools and functionality for performing astronomical calculations, handling astronomical data, working with coordinates, time, units, and other common astronomy-related tasks. It serves as a foundational library for the astronomical computing ecosystem.

Contributors

2,740

Organizations

585

Software value

$20M

Qiskit

Qiskit is an open-source software development kit for quantum computing that enables users to create, manipulate and run quantum circuits on quantum computers and simulators. It provides tools for quantum programming, algorithm development, hardware access, and quantum education.

Contributors

2,440

Organizations

270

Software value

$17M

MOOSE

MOOSE (Multiphysics Object-Oriented Simulation Environment) is a finite element framework developed by Idaho National Laboratory for solving complex engineering and scientific problems. It provides a flexible, parallel computational framework for coupled systems of nonlinear partial differential equations.

Contributors

2,037

Organizations

Software value

$100M

AliPhysics

AliPhysics is a physics analysis framework for analyzing data from high-energy particle physics experiments, particularly focused on heavy-ion collisions. It provides tools and algorithms for particle reconstruction, event analysis, and data processing in nuclear physics research.

Contributors

1,837

Organizations

Software value

$272M

Math.js

Math.js is an extensive mathematics library for JavaScript that provides a flexible expression parser and offers support for symbolic computation, complex numbers, units, matrices, and a wide range of mathematical functions. It can be used both in Node.js and in web browsers.

Contributors

1,790

Organizations

417

Software value

$3.5M

ROOT

ROOT is a scientific software framework developed at CERN that provides tools for big data processing, statistical analysis, visualization and storage in high-energy physics research. It includes a C++ interpreter, advanced statistical tools, machine learning capabilities, and powerful graphics tools for data visualization.

Contributors

1,773

Organizations

253

Software value

$292M

Trilinos

The mission of the Project is the creation of algorithms and enabling technologies for the solution of large-scale, complex multi-physics engineering and scientific problems on new and emerging high-performance computing (HPC) architectures. The Project is composed of packages addressing various computational needs of engineering and scientific simulations.

Contributors

1,371

Organizations

116

Software value

$719M

LAMMPS

LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator) is a classical molecular dynamics simulation code designed to efficiently compute atomic, polymeric, biological, metallic, granular, and coarse-grained systems using various interatomic potentials and boundary conditions on parallel computers.

Contributors

1,340

Organizations

162

Software value

$69M

deal.II

deal.II is an open-source finite element analysis library designed for computational science and numerical simulations. It provides tools and algorithms for solving partial differential equations using adaptive finite element methods, with particular focus on scientific computing and engineering applications.

Contributors

1,020

Organizations

107

Software value

$153M

Drake

Drake is a robotics toolbox and model-based design tool for analyzing and controlling robotic systems. It provides a comprehensive suite of tools for simulation, optimization, and control of complex robotic systems, with support for rigid body dynamics, trajectory optimization, and control system design.

Contributors

1,019

Organizations

151

Software value

$32M

Energy Exascale Earth System Model (E3SM)

The Energy Exascale Earth System Model (E3SM) is a state-of-the-art Earth system model developed for high-performance computing to address challenging climate science problems. It focuses on modeling Earth's water cycle, biogeochemistry, and cryosphere systems at high resolution.

Contributors

986

Organizations

Software value

$74M

ITK

ITK (Insight Toolkit) is an open-source, cross-platform library providing an extensive suite of software tools for image analysis, focusing on medical image processing and registration. It offers algorithms for segmentation, registration, filtering, and analysis of multi-dimensional scientific images.

Contributors

960

Organizations

136

Software value

$77M

stdlib

stdlib is a comprehensive standard library for JavaScript and Node.js that provides a collection of mathematical, statistical, and scientific computing functions, along with utilities for data processing, machine learning, and numerical computing

Contributors

859

Organizations

136

Software value

$313M

OpenModelica

OpenModelica is an open-source Modelica-based modeling and simulation environment intended for industrial and academic usage. It supports model-based design and simulation of complex physical systems in multiple domains including mechanical, electrical, electronic, hydraulic, thermal, control, and electric power systems.

Contributors

839

Organizations

Software value

$69M

AMReX

The mission and charitable purposes (collectively, the “Charitable Purposes”) of the Project is to provide a parallel, performance-portable block-structured adaptive mesh refinement framework for science and engineering applications.

Contributors

776

Organizations

Software value

$183M

Kratos Multiphysics

Kratos Multiphysics is an open-source framework for the implementation of numerical methods for solving engineering problems, particularly focused on finite element methods, computational fluid dynamics, and structural mechanics. It provides a unified environment for multi-physics simulations with parallel processing capabilities.

Contributors

732

Organizations

Software value

$121M

GEOS-Chem

GEOS-Chem is a global 3-D chemical transport model for atmospheric composition that simulates atmospheric chemistry, aerosols, and greenhouse gases. It is used by research groups worldwide for studying atmospheric chemistry and composition, air quality, and climate change.

Contributors

731

Organizations

Software value

$18M

ModelingToolkit.jl

ModelingToolkit.jl is a symbolic modeling framework for scientific computing and automated model transformation in Julia. It enables users to define, manipulate, and solve complex mathematical models through symbolic computation, automatic differentiation, and code generation capabilities.

Contributors

658

Organizations

152

Software value

$2M

Mantid

Mantid (Manipulation and Analysis Toolkit for Instrument Data) is a scientific software framework for processing and analyzing neutron and muon scattering data from large-scale facilities. It provides tools for data reduction, visualization, and analysis used by scientists at neutron and muon sources worldwide.

Contributors

610

Organizations

Software value

$93M

WarpX

The mission and charitable purposes (collectively, the “Charitable Purposes”) of the Project is to provide a community, performance-portable and modular Particle in-Cell code with advanced algorithms.

Contributors

594

Organizations

Software value

$12M

OrdinaryDiffEq.jl

OrdinaryDiffEq.jl is a high-performance solver package for ordinary differential equations (ODEs) in Julia. It provides a comprehensive suite of numerical methods for solving various types of ODEs, including stiff and non-stiff problems, with features for automatic algorithm selection and performance optimization.

Contributors

583

Organizations

137

Software value

$6.4M

PowSyBl

PowSyBl (Power System Blocks) is an open source library dedicated to electrical grid modeling and simulation. PowSyBl is written in Java and licensed under the Mozilla Public License 2.0. PowSyBl may be scripted for a quick solution, but it can also be used as a library to write complex software for power system simulation and analysis. Using PowSyBl, developers can create applications able to perform dynamic power flow simulations and security analyses on the network, handle a variety of formats including CGMES for European data exchanges, and many other tasks. PowSyBl has a completely modular design, enabling developers to extend or customize its features by providing their own plugins. Modularity is a key value of PowSyBl’s open source design.

Contributors

583

Organizations

Software value

$90M

h5py

h5py is a Pythonic interface to the HDF5 binary data format, providing a high-level interface for storing and organizing large amounts of numerical data. It allows Python programs to store huge amounts of numerical data in a hierarchical format, and efficiently manipulate that data from NumPy.

Contributors

257

Organizations

Software value

$1.1M

OpenFIDO

Open Framework for Integrated Data Operations (OpenFIDO) is a data and model processing framework funded by the California Energy Commissions (EPC 17-047).

Contributors

Organizations

Software value

$3.5M

A Common Tracking Software

Experiment-independent toolkit for (charged) particle track reconstruction in (high energy) physics experiments implemented in modern C++

This project hasn't been onboarded to LFX Insights.

ABACUS

An electronic structure package based on either plane wave basis or numerical atomic orbitals.

This project hasn't been onboarded to LFX Insights.

ADIOS2

Next generation of ADIOS developed in the Exascale Computing Program

This project hasn't been onboarded to LFX Insights.

ARTIQ

A leading-edge control system for quantum information experiments

This project hasn't been onboarded to LFX Insights.

Abinit

The official github mirror of the Abinit repository. We welcome bug fixes and improvements. Note that most of the active developments are hosted on our https://gitlab.abinit.org/ server. Before embarking on making significant changes, please contact the Abinit group.

This project hasn't been onboarded to LFX Insights.

Athena++

Athena++ radiation GRMHD code and adaptive mesh refinement (AMR) framework

This project hasn't been onboarded to LFX Insights.

BEAM

The Framework for Modeling Behavior, Energy, Autonomy, and Mobility in Transportation Systems

This project hasn't been onboarded to LFX Insights.

Biopython

Official git repository for Biopython (originally converted from CVS)

This project hasn't been onboarded to LFX Insights.

CBRAIN

CBRAIN is a flexible Ruby on Rails framework for accessing and processing of large data on high-performance computing infrastructures.

This project hasn't been onboarded to LFX Insights.

CLIMADA Python

Python (3.8+) version of CLIMADA

This project hasn't been onboarded to LFX Insights.

CP2K

Quantum chemistry and solid state physics software package

This project hasn't been onboarded to LFX Insights.

CaImAn

Computational toolbox for large scale Calcium Imaging Analysis, including movie handling, motion correction, source extraction, spike deconvolution and result visualization.

This project hasn't been onboarded to LFX Insights.

Castro

Castro (Compressible Astrophysics): An adaptive mesh, astrophysical compressible (radiation-, magneto-) hydrodynamics simulation code for massively parallel CPU and GPU architectures.

This project hasn't been onboarded to LFX Insights.

Cooperative Computing Tools

The Cooperative Computing Tools (cctools) enable large scale distributed computations to harness hundreds to thousands of machines from clusters, clouds, and grids.

This project hasn't been onboarded to LFX Insights.