awesome-scientific-computing
Scientific computing toolkit
Curated collection of software tools and libraries for solving numerical analysis and scientific computing problems.
Curated list of awesome software for numerical analysis and scientific computing
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Language: Python
last commit: almost 2 years agoLinked from 4 awesome lists
awesomeawesome-listengineeringmathematicsnumerical-analysisphysicsscientific-computing
Awesome Scientific Computing / Basic linear algebra | |||
| BLAS | Standard building blocks for performing basic vector and matrix operations. (Fortran, public domain, ) | ||
| OpenBLAS | Optimized BLAS library based on GotoBLAS2. (C and Assembly, BSD, ) | ||
| BLIS | 2,337 | almost 2 years ago | High-performance BLAS-like dense linear algebra libraries. (C, BSD, GitHub) |
| LAPACK | Routines for solving systems of linear equations, linear least-squares, eigenvalue problems, etc. (Fortran, BSD, ) | ||
| Eigen | C++ template library for linear algebra. (C++, MPL 2, ) | ||
| Ginkgo | High-performance manycore linear algebra library, focus on sparse systems. (C++, BSD, ) | ||
| blaze | High-performance C++ math library for dense and sparse arithmetic. (C++, BSD, Bitbucket) | ||
Awesome Scientific Computing / Multi-purpose toolkits | |||
| PETSc | Parallel solution of scientific applications modeled by PDEs. (C, 2-clause BSD, ) | ||
| DUNE Numerics | Toolbox for solving PDEs with grid-based methods. (C++, GPL 2, ) | ||
| SciPy | Python modules for statistics, optimization, integration, linear algebra, etc. (Python, mostly BSD, ) | ||
| NumPy | Fundamental package needed for scientific computing with Python. (Python, BSD, ) | ||
| DifferentialEquations.jl | Toolbox for solving different types of differential equations numerically. (Julia, MIT, ) | ||
Awesome Scientific Computing / Finite Elements | |||
| FEniCS | Computing platform for solving PDEs in Python and C++. (C++/Python, LGPL 3, / ) | ||
| libMesh | Framework for the numerical simulation of PDEs using unstructured discretizations. (C++, LGPL 2.1, ) | ||
| deal.II | Software library supporting the creation of finite element codes. (C++, LGPL 2.1, ) | ||
| Netgen/NGSolve | High performance multiphysics finite element software. (C++, LGPL 2.1, ) | ||
| Firedrake | Automated system for the solution of PDEs using the finite element method. (Python, LGPL 3, ) | ||
| MOOSE | Multiphysics Object Oriented Simulation Environment. (C++, LGPL 2.1, ) | ||
| MFEM | Free, lightweight, scalable C++ library for finite element methods. (C++, BSD-3-Clause, ) | ||
| SfePy | Simple Finite Elements in Python. (Python, BSD, ) | ||
| FreeFEM | High level multiphysics-multimesh finite element language. (C++, LGPL, ) | ||
| libceed | Code for Efficient Extensible Discretizations. (C, 2-clause BSD, ) | ||
| scikit-fem | 516 | almost 2 years ago | Simple finite element assemblers. (Python, BSD/GPL, GitHub) |
Awesome Scientific Computing / Meshing / Triangular and tetrahedral meshing | |||
| Gmsh | Three-dimensional finite element mesh generator with pre- and post-processing facilities. (C++, GPL, ) | ||
| pygmsh | 869 | almost 3 years ago | Python interface for Gmsh. (Python, GPL 3, GitHub) |
| MeshPy | Quality triangular and tetrahedral mesh generation. (Python, MIT, ) | ||
| CGAL | Algorithms for computational geometry. (C++, mixed LGPL/GPL, ) | ||
| pygalmesh | 602 | about 2 years ago | 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, ) | ||
| 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, ) | ||
| dmsh | 211 | over 3 years ago | Simple generator for unstructured triangular meshes, inspired by distmesh. (Python, proprietary, GitHub) |
| TetWild | Generate tetrahedral meshes for triangular surface meshes. (C++, GPL 3, ) | ||
| TriWild | Robust triangulation with curve constraints. (C++, MPL 2, ) | ||
| fTetWild | Same as TetWild, but faster. (C++, MPL 2, ) | ||
| SeismicMesh | 130 | about 3 years ago | Parallel 2D/3D triangle/tetrahedral mesh generation with sliver removal. (Python and C++, GPL 3, GitHub) |
Awesome Scientific Computing / Meshing / Quadrilateral and hexahedral meshing | |||
| QuadriFlow | Scalable and robust quadrangulation from triangulation. (C++, BSD, ) | ||
Awesome Scientific Computing / Meshing / Mesh tools | |||
| meshio | 1,976 | about 2 years ago | I/O for various mesh formats, file conversion. (Python, MIT, GitHub) |
| MOAB | Representing and evaluating mesh data. (C++, mostly LGPL 3, ) | ||
| optimesh | 582 | over 2 years ago | Triangular mesh smoothing. (Python, proprietary, GitHub) |
| pmp-library | Polygon mesh processing library. (C++, MIT with Employer Disclaimer, ) | ||
| Mmg | Robust, open-source & multidisciplinary software for remeshing. (C, LGPL 3, ) | ||
| meshplex | 104 | over 2 years ago | Fast tools for simplex meshes. (Python, proprietary, GitHub) |
Awesome Scientific Computing / Data formats | |||
| NetCDF | Software libraries and data formats for array-oriented scientific data. (C/C++/Fortran/Java/Python, , ) | ||
| HDF5 | Data model, library, and file format for storing and managing data. (C/Fortran, BSD, ) | ||
| XDMF | eXtensible Data Model and Format for data from High Performance Computing codes. (C++, ) | ||
| Zarr | Format for the storage of chunked, compressed, N-dimensional arrays. (Python, MIT, ) | ||
Awesome Scientific Computing / Sparse linear solvers | |||
| SuperLU | Direct solution of large, sparse, nonsymmetric systems of linear equations. (C, mostly BSD, ) | ||
| PyAMG | Algebraic Multigrid Solvers in Python. (Python, MIT, ) | ||
| hypre | Library of high-performance preconditioners and solvers. (C, Apache 2.0/MIT, ) | ||
Awesome Scientific Computing / Visualization | |||
| ParaView | Multi-platform data analysis and visualization application based on VTK. (C++, BSD, ) | ||
| VTK | Process images and create 3D computer graphics. (C++, BSD, ) | ||
| Mayavi | 3D scientific data visualization and plotting in Python. (Python, BSD, ) | ||
| Polyscope | Viewer and user interface for 3D geometry processing. (C++, MIT, ) | ||
| PyVista | 3D plotting and mesh analysis through a streamlined interface for VTK. (Python, MIT, ) | ||
| vedo | Library for scientific analysis and visualization of 3D objects based on VTK. (Python, MIT, ) | ||
| yt | Toolkit for analysis and visualization of volumetric data. (Python, BSD, ) | ||
| F3D | Cross-platform, fast, and minimalist 3D viewer with scientific visualization tools. (C++, BSD, ) | ||
| TTK | Topological data analysis and visualization. (C++/Python, BSD, ) | ||
| morphologica | 262 | almost 2 years ago | Header-only, modern OpenGL code to visualize numerical simulations at runtime. (C++, Apache 2.0, GitHub) |
Awesome Scientific Computing / Other libraries and tools | |||
| FFTW | Discrete Fourier transforms in one or more dimensions, of arbitrary input size, real and complex. (C, GPL2, ) | ||
| Qhull | Convex hull, Delaunay triangulation, Voronoi diagram, halfspace intersection about a point, etc. (C/C++, , ) | ||
| GSL | Random number generators, special functions, and least-squares fitting etc. (C/C++, GPL 3, ) | ||
| OpenFOAM | Free, open source CFD (computational fluid dynamics) software. (C++, GPL 3, ) | ||
| quadpy | 768 | over 3 years ago | Numerical integration (quadrature, cubature) in Python. (Python, proprietary, GitHub) |
| FiPy | Finite-volume PDE solver. (Python, , ) | ||
| accupy | 104 | about 5 years ago | Accurate sums and dot products for Python. (Python, GPL 3, GitHub) |
| SLEPc | Scalable Library for Eigenvalue Problem Computations. (C, 2-clause BSD, ) | ||
| Chebfun | Computing with functions to about 15-digit accuracy. (MATLAB, BSD, ) | ||
| pyMOR | Model Order Reduction with Python. (Python, 2-clause BSD, ) | ||
| cvxpy | Modeling language for convex optimization problems. (Python, Apache 2.0, ) | ||
| PyWavelets | Wavelet transforms in Python. (Python, MIT, ) | ||
| NFFT | Nonequispaced fast Fourier transform. (C/MATLAB, GPL 2, ) | ||
| preCICE | Coupling library for partitioned multi-physics simulations (FSI, CHT, and more). (C++, LGPL 3, ) | ||
| orthopy | 182 | over 2 years ago | Compute orthogonal polynomials efficiently. (Python, proprietary, GitHub) |
| pyGAM | Generalized Additive Models in Python. (Python, Apache 2.0, ) | ||
| Dedalus | Solve partial differential equations with spectral methods. (Python, GPL 3, ) | ||
| PyGMO | Massively parallel optimization. (Python/C++, MPL 2, ) | ||
| shenfun | High-performance Python library for the spectral Galerkin method. (Python, BSD-2, ) | ||
| PyDMD | 77 | almost 2 years ago | Dynamic Mode Decomposition (DMD) in Python. (Python, MIT, GitHub) |
| HPDDM | 141 | almost 2 years ago | High-performance unified framework for domain decomposition methods. (C++, LGPL 3, GitHub) |
Awesome Scientific Computing / 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 | ||
| 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 | ||
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