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Awesome Scientific Computing

:sunglasses: Curated list of awesome software for numerical analysis and scientific computing

1.6k stars184 forks90 entriesLast push Jul 20, 2026 (2 months ago)License CC0-1.0

This page lists names, links and short descriptions. The original list on GitHub is the source and belongs to its authors.

Basic linear algebra

BLAS

Standard building blocks for performing basic vector and matrix operations. (Fortran, public domain, GitHub)

OpenBLAS

Optimized BLAS library based on GotoBLAS2. (C and Assembly, BSD, GitHub)

BLIS

High-performance BLAS-like dense linear algebra libraries. (C, BSD, GitHub)

In 2 lists

LAPACK

Routines for solving systems of linear equations, linear least-squares, eigenvalue problems, etc. (Fortran, BSD, GitHub)

Eigen

C++ template library for linear algebra. (C++, MPL 2, GitLab)

Ginkgo

High-performance manycore linear algebra library, focus on sparse systems. (C++, BSD, GitHub)

In 2 lists

blaze

High-performance C++ math library for dense and sparse arithmetic. (C++, BSD, Bitbucket)

In 2 lists

Multi-purpose toolkits

PETSc

Parallel solution of scientific applications modeled by PDEs. (C, 2-clause BSD, GitLab)

In 2 lists

DUNE Numerics

Toolbox for solving PDEs with grid-based methods. (C++, GPL 2, GitLab)

SciPy

Python modules for statistics, optimization, integration, linear algebra, etc. (Python, mostly BSD, GitHub)

In 7 listsDetails

NumPy

Fundamental package needed for scientific computing with Python. (Python, BSD, GitHub)

In 7 listsDetails

DifferentialEquations.jl

Toolbox for solving different types of differential equations numerically. (Julia, MIT, GitHub)

Finite Elements

FEniCS

Computing platform for solving PDEs in Python and C++. (C++/Python, LGPL 3, GitHub/Bitbucket)

In 2 lists

libMesh

Framework for the numerical simulation of PDEs using unstructured discretizations. (C++, LGPL 2.1, GitHub)

deal.II

Software library supporting the creation of finite element codes. (C++, LGPL 2.1, GitHub)

In 2 lists

Netgen/NGSolve

High performance multiphysics finite element software. (C++, LGPL 2.1, GitHub)

Firedrake

Automated system for the solution of PDEs using the finite element method. (Python, LGPL 3, GitHub)

In 2 lists

MOOSE

Multiphysics Object Oriented Simulation Environment. (C++, LGPL 2.1, GitHub)

MFEM

Free, lightweight, scalable C++ library for finite element methods. (C++, BSD-3-Clause, GitHub)

In 2 lists

SfePy

Simple Finite Elements in Python. (Python, BSD, GitHub)

FreeFEM

High level multiphysics-multimesh finite element language. (C++, LGPL, GitHub)

libceed

Code for Efficient Extensible Discretizations. (C, 2-clause BSD, GitHub)

scikit-fem

Simple finite element assemblers. (Python, BSD/GPL, GitHub)

Meshing >Triangular and tetrahedral meshing

Gmsh

Three-dimensional finite element mesh generator with pre- and post-processing facilities. (C++, GPL, GitLab)

In 2 lists

pygmsh

Python interface for Gmsh. (Python, GPL 3, GitHub)

MeshPy

Quality triangular and tetrahedral mesh generation. (Python, MIT, GitHub)

CGAL

Algorithms for computational geometry. (C++, mixed LGPL/GPL, GitHub)

In 3 lists

pygalmesh

Python interface for CGAL's 3D meshing capabilities. (Python, GPL 3, GitHub)

TetGen

Quality tetrahedral mesh generator and 3D Delaunay triangulator. (C++, AGPLv3)

Triangle

Two-dimensional quality mesh generator and Delaunay triangulator. (C, nonfree software)

distmesh

Simple generator for unstructured triangular and tetrahedral meshes. (MATLAB, GPL 3)

trimesh

Loading and using triangular meshes with an emphasis on watertight surfaces. (Python, MIT, GitHub)

dmsh

Simple generator for unstructured triangular meshes, inspired by distmesh. (Python, proprietary, GitHub)

TetWild

Generate tetrahedral meshes for triangular surface meshes. (C++, GPL 3, GitHub)

TriWild

Robust triangulation with curve constraints. (C++, MPL 2, GitHub)

SeismicMesh

Parallel 2D/3D triangle/tetrahedral mesh generation with sliver removal. (Python and C++, GPL 3, GitHub)

Meshing >Quadrilateral and hexahedral meshing

QuadriFlow

Scalable and robust quadrangulation from triangulation. (C++, BSD, GitHub)

Meshing >Mesh tools

meshio

I/O for various mesh formats, file conversion. (Python, MIT, GitHub)

In 2 lists

MOAB

Representing and evaluating mesh data. (C++, mostly LGPL 3, Bitbucket)

optimesh

Triangular mesh smoothing. (Python, proprietary, GitHub)

pmp-library

Polygon mesh processing library. (C++, MIT with Employer Disclaimer, GitHub)

Mmg

Robust, open-source & multidisciplinary software for remeshing. (C, LGPL 3, GitHub)

meshplex

Fast tools for simplex meshes. (Python, proprietary, GitHub)

Data formats

NetCDF

Software libraries and data formats for array-oriented scientific data. (C/C++/Fortran/Java/Python, custom open-source license, GitHub)

HDF5

Data model, library, and file format for storing and managing data. (C/Fortran, BSD, GitHub)

In 2 lists

XDMF

eXtensible Data Model and Format for data from High Performance Computing codes. (C++, GitLab)

Zarr

Format for the storage of chunked, compressed, N-dimensional arrays. (Python, MIT, GitHub)

Sparse linear solvers

SuperLU

Direct solution of large, sparse, nonsymmetric systems of linear equations. (C, mostly BSD, GitHub)

PyAMG

Algebraic Multigrid Solvers in Python. (Python, MIT, GitHub)

hypre

Library of high-performance preconditioners and solvers. (C, Apache 2.0/MIT, GitHub)

Visualization

ParaView

Multi-platform data analysis and visualization application based on VTK. (C++, BSD, GitLab)

In 4 lists

VTK

Process images and create 3D computer graphics. (C++, BSD, GitLab)

In 3 lists

Mayavi

3D scientific data visualization and plotting in Python. (Python, BSD, GitHub)

In 3 lists

Polyscope

Viewer and user interface for 3D geometry processing. (C++, MIT, GitHub)

PyVista

3D plotting and mesh analysis through a streamlined interface for VTK. (Python, MIT, GitHub)

In 2 lists

vedo

Library for scientific analysis and visualization of 3D objects based on VTK. (Python, MIT, GitHub)

In 2 lists

yt

Toolkit for analysis and visualization of volumetric data. (Python, BSD, GitHub)

In 2 lists

F3D

Cross-platform, fast, and minimalist 3D viewer with scientific visualization tools. (C++, BSD, GitHub)

TTK

Topological data analysis and visualization. (C++/Python, BSD, GitHub)

morphologica

Header-only, modern OpenGL code to visualize numerical simulations at runtime. (C++, Apache 2.0, GitHub)

In 3 lists

Other libraries and tools

FFTW

Discrete Fourier transforms in one or more dimensions, of arbitrary input size, real and complex. (C, GPL2, GitHub)

In 3 lists

Qhull

Convex hull, Delaunay triangulation, Voronoi diagram, halfspace intersection about a point, etc. (C/C++, custom open source license, GitHub)

GSL

Random number generators, special functions, and least-squares fitting etc. (C/C++, GPL 3, Savannah)

In 5 listsDetails

OpenFOAM

Free, open source CFD (computational fluid dynamics) software. (C++, GPL 3, GitHub)

quadpy

Numerical integration (quadrature, cubature) in Python. (Python, proprietary, GitHub)

FiPy

Finite-volume PDE solver. (Python, custom open-source license, GitHub)

accupy

Accurate sums and dot products for Python. (Python, GPL 3, GitHub)

SLEPc

Scalable Library for Eigenvalue Problem Computations. (C, 2-clause BSD, GitLab)

Chebfun

Computing with functions to about 15-digit accuracy. (MATLAB, BSD, GitHub)

pyMOR

Model Order Reduction with Python. (Python, 2-clause BSD, GitHub)

cvxpy

Modeling language for convex optimization problems. (Python, Apache 2.0, GitHub)

In 2 lists

PyWavelets

Wavelet transforms in Python. (Python, MIT, GitHub)

NFFT

Nonequispaced fast Fourier transform. (C/MATLAB, GPL 2, GitHub)

preCICE

Coupling library for partitioned multi-physics simulations (FSI, CHT, and more). (C++, LGPL 3, GitHub)

orthopy

Compute orthogonal polynomials efficiently. (Python, proprietary, GitHub)

pyGAM

Generalized Additive Models in Python. (Python, Apache 2.0, GitHub)

Dedalus

Solve partial differential equations with spectral methods. (Python, GPL 3, GitHub)

PyGMO

Massively parallel optimization. (Python/C++, MPL 2, GitHub)

shenfun

High-performance Python library for the spectral Galerkin method. (Python, BSD-2, GitHub)

PyDMD

Dynamic Mode Decomposition (DMD) in Python. (Python, MIT, GitHub)

HPDDM

High-performance unified framework for domain decomposition methods. (C++, LGPL 3, GitHub)

Community

SciComp StackExchange

Computational Science on the StackExchange network.

Wolfgang Bangerth's video class

MATH 676: Finite element methods in scientific computing.

Nick Higham's blog

Mostly on MATLAB, general computing advice.

Nick Trefethen's Video Lectures

36 video lectures on approximation theory/practice and scientific computing.

John D. Cook's blog

Feats of scientific computing.

In 2 lists

Jack Dongarra's software list

List of freely available software for the solution of linear algebra problems.

NA Digest

Collection of articles on topics related to numerical analysis and those who practice it.

Gabriel Peyré on Bluesky

One post a day on computational mathematics.

Discord: Numerical Software

Discord messaging server on numerical software.

See category
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