9 Best C++ Scientific Computing Libraries

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by sarang dot icon Updated: Mar 9, 2023

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Here are the best open-source C++ scientific computing libraries for your applications. You can use these software tools to perform complex computations and data analysis in scientific and engineering applications.


C++ is a high-performance programming language widely used for scientific computing because it can handle complex numerical operations easily. These libraries provide various algorithms and functions for mathematical modeling, statistical analysis, and numerical simulations. C++ scientific computing libraries are designed to handle large-scale computations efficiently. They offer a variety of features, such as numerical optimization, sparse matrix operations, and linear system solvers. Also, they provide support for different data types, including floating-point numbers and complex numbers. One of the key advantages of using C++ scientific computing libraries is their ability to handle complex computations with speed and accuracy. These libraries are optimized to take advantage of the underlying hardware and can process large data sets quickly. Additionally, they offer a high degree of flexibility, allowing developers to customize their code to fit specific needs.


Overall, C++ scientific computing libraries are essential for researchers and developers working in scientific computing. They provide a powerful and efficient framework for numerical computations, allowing users to focus on developing algorithms and solving complex problems. We have handpicked the top and trending open-source C++ scientific computing libraries for your next application development project.

Dlib:

  • Used in Artificial Intelligence, Machine Learning, Deep Learning, OpenCV applications, etc.
  • Supports machine learning, computer vision, and numerical optimization.
  • It is easy to use and provides a simple interface for complex computations.

dlibby davisking

C++ doticonstar image 11993 doticonVersion:v19.24.2doticon
License: Permissive (BSL-1.0)

A toolkit for making real world machine learning and data analysis applications in C++

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            dlibby davisking

            C++ doticon star image 11993 doticonVersion:v19.24.2doticon License: Permissive (BSL-1.0)

            A toolkit for making real world machine learning and data analysis applications in C++
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                      Eigen:

                      • Used for linear algebra in Utilities, Math applications, etc.
                      • Supports matrix operations, numerical solvers, and optimization algorithms.
                      • Widely used in robotics, computer vision, and machine learning applications.

                      eigenby PX4

                      C++ doticonstar image 323 doticonVersion:Currentdoticon
                      License: Others (Non-SPDX)

                      Eigen is a C++ template library for linear algebra: matrices, vectors, numerical solvers, and related algorithms.

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                                eigenby PX4

                                C++ doticon star image 323 doticonVersion:Currentdoticon License: Others (Non-SPDX)

                                Eigen is a C++ template library for linear algebra: matrices, vectors, numerical solvers, and related algorithms.
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                                          Armadillo:

                                          • Used for machine learning, pattern recognition, computer vision, signal processing, bioinformatics, statistics, finance, etc.
                                          • Supports matrix operations, numerical solvers, and optimization algorithms.
                                          • It is easy to use and provides a simple interface for linear algebra operations.

                                          armadilloby EmanueleCannizzaro

                                          C++ doticonstar image 6 doticonVersion:Currentdoticon
                                          License: Weak Copyleft (MPL-2.0)

                                          Armadillo C++ linear algebra library from http://arma.sourceforge.net

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                                                    armadilloby EmanueleCannizzaro

                                                    C++ doticon star image 6 doticonVersion:Currentdoticon License: Weak Copyleft (MPL-2.0)

                                                    Armadillo C++ linear algebra library from http://arma.sourceforge.net
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                                                              Boost.Math:

                                                              • Used in Artificial Intelligence, Machine Learning applications, etc.
                                                              • Supports various mathematical functions, including special functions, statistics, and numerical analysis.
                                                              • Widely used in scientific and engineering applications, providing robust mathematical tools.

                                                              mathby boostorg

                                                              C++ doticonstar image 260 doticonVersion:boost-1.82.0doticon
                                                              License: Permissive (BSL-1.0)

                                                              Boost.org math module

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                                                                        mathby boostorg

                                                                        C++ doticon star image 260 doticonVersion:boost-1.82.0doticon License: Permissive (BSL-1.0)

                                                                        Boost.org math module
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                                                                                  ITK:

                                                                                  • Used in Artificial Intelligence, Machine Learning, Deep Learning applications, etc.
                                                                                  • It’s an open-source software system for image processing and analysis.
                                                                                  • Provides algorithms for image registration, segmentation, and filtering.

                                                                                  ITKby InsightSoftwareConsortium

                                                                                  C++ doticonstar image 1203 doticonVersion:v5.3.0doticon
                                                                                  License: Permissive (Apache-2.0)

                                                                                  Insight Toolkit (ITK) -- Official Repository. ITK builds on a proven, spatially-oriented architecture for processing, segmentation, and registration of scientific images in two, three, or more dimensions.

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                                                                                            ITKby InsightSoftwareConsortium

                                                                                            C++ doticon star image 1203 doticonVersion:v5.3.0doticon License: Permissive (Apache-2.0)

                                                                                            Insight Toolkit (ITK) -- Official Repository. ITK builds on a proven, spatially-oriented architecture for processing, segmentation, and registration of scientific images in two, three, or more dimensions.
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                                                                                                      LAPACK:

                                                                                                      • Used in Utilities, Math applications, etc.
                                                                                                      • It’s a collection of routines for solving linear systems of equations, eigenvalue problems, and singular value problems.
                                                                                                      • Provides high-performance implementations of these algorithms.

                                                                                                      nlapackby nperf

                                                                                                      C++ doticonstar image 17 doticonVersion:Currentdoticon
                                                                                                      License: Permissive (MIT)

                                                                                                      C++ bindings for LAPACK (Linear Algebra Package).

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                                                                                                                nlapackby nperf

                                                                                                                C++ doticon star image 17 doticonVersion:Currentdoticon License: Permissive (MIT)

                                                                                                                C++ bindings for LAPACK (Linear Algebra Package).
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                                                                                                                          SUNDIALS:

                                                                                                                          • Used for ordinary differential equations (ODEs) and differential algebraic equations (DAEs).
                                                                                                                          • Offers a suite of numerical solvers.
                                                                                                                          • It includes solvers for stiff and non-stiff problems.

                                                                                                                          Sundialby yxymit

                                                                                                                          C++ doticonstar image 22 doticonVersion:Currentdoticon
                                                                                                                          License: Permissive (ISC)

                                                                                                                          Sundial: A distributed OLTP database testbed.

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                                                                                                                                    Sundialby yxymit

                                                                                                                                    C++ doticon star image 22 doticonVersion:Currentdoticon License: Permissive (ISC)

                                                                                                                                    Sundial: A distributed OLTP database testbed.
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                                                                                                                                              VTK:

                                                                                                                                              • Used in Analytics, Data Visualization applications, etc.
                                                                                                                                              • It’s an open-source software system for 3D computer graphics, image processing, and visualization.
                                                                                                                                              • Includes algorithms for surface and volume rendering, as well as support for data visualization and analysis.

                                                                                                                                              VTKby Kitware

                                                                                                                                              C++ doticonstar image 2162 doticonVersion:Currentdoticon
                                                                                                                                              License: Others (Non-SPDX)

                                                                                                                                              Mirror of Visualization Toolkit repository

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                                                                                                                                                        VTKby Kitware

                                                                                                                                                        C++ doticon star image 2162 doticonVersion:Currentdoticon License: Others (Non-SPDX)

                                                                                                                                                        Mirror of Visualization Toolkit repository
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                                                                                                                                                                  TensorFlow:

                                                                                                                                                                  • Used in Artificial Intelligence, Machine Learning, Deep Learning, Tensorflow applications, etc.
                                                                                                                                                                  • It’s a machine-learning library that can be used for scientific computing.
                                                                                                                                                                  • Includes tools for building and training neural networks and supports numerical computations.

                                                                                                                                                                  tensorflowby tensorflow

                                                                                                                                                                  C++ doticonstar image 175562 doticonVersion:v2.13.0-rc1doticon
                                                                                                                                                                  License: Permissive (Apache-2.0)

                                                                                                                                                                  An Open Source Machine Learning Framework for Everyone

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                                                                                                                                                                            tensorflowby tensorflow

                                                                                                                                                                            C++ doticon star image 175562 doticonVersion:v2.13.0-rc1doticon License: Permissive (Apache-2.0)

                                                                                                                                                                            An Open Source Machine Learning Framework for Everyone
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