8 Best Python Scientific Computing Libraries

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by Dhiren Gala dot icon Updated: Mar 27, 2023

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Here are the best open-source Python scientific computing libraries for your applications. These helps building applications with powerful array manipulation and scientific computing capabilities.


It provides many scientific computing tools, like optimization, integration, interpolation, and signal processing. It helps developers with linear algebra, Fourier transforms, and other mathematical operations. These libraries offer options to create static, interactive plots, histograms, and scatter plots. You get powerful tools for data manipulation, large dataset manipulation. It also helps working with multi-dimensional arrays. 


We have handpicked the top Python libraries that make scientific computing more accessible and efficient. Moreover, they are maintained by the global developer community. They are an excellent choice for any scientific computing and application development project.  

NumPy:

  • Used in Utilities, Data Manipulation, NumPy applications, etc.
  • Known for efficient manipulation and computation of arrays and matrices.
  • Offers linear algebra, Fourier transform, and random number capabilities.

numpyby numpy

Python doticonstar image 23755 doticonVersion:v1.25.0rc1doticon
License: Permissive (BSD-3-Clause)

The fundamental package for scientific computing with Python.

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            numpyby numpy

            Python doticon star image 23755 doticonVersion:v1.25.0rc1doticon License: Permissive (BSD-3-Clause)

            The fundamental package for scientific computing with Python.
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                      SciPy:

                      • Used for scientific computing, like optimization, signal processing, linear algebra, and more.
                      • Built to work with NumPy arrays.
                      • Provides many user-friendly and efficient numerical routines, like numerical integration and optimization.

                      scipyby scipy

                      Python doticonstar image 11340 doticonVersion:v1.11.0rc1doticon
                      License: Permissive (BSD-3-Clause)

                      SciPy library main repository

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                                scipyby scipy

                                Python doticon star image 11340 doticonVersion:v1.11.0rc1doticon License: Permissive (BSD-3-Clause)

                                SciPy library main repository
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                                          Matplotlib:

                                          • Used for creating static, animated, and interactive visualizations in Python.
                                          • Offers data visualization and plotting, including 2D and 3D plotting and animation capabilities.
                                          • Works with Python scripts, Python/IPython shells, web application servers.
                                          • Works with several graphical user interface toolkits.

                                          matplotlibby matplotlib

                                          Python doticonstar image 17559 doticonVersion:v3.7.1doticon
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                                          matplotlib: plotting with Python

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                                                    matplotlibby matplotlib

                                                    Python doticon star image 17559 doticonVersion:v3.7.1doticonno licences License: No License

                                                    matplotlib: plotting with Python
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                                                              Pandas:

                                                              • Used for data manipulation and analysis.
                                                              • Offers powerful data analysis tools.
                                                              • Includes data structures for efficient handling of data.
                                                              • Supports multiple data formats.

                                                              pandasby pandas-dev

                                                              Python doticonstar image 38689 doticonVersion:v2.0.2doticon
                                                              License: Permissive (BSD-3-Clause)

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

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                                                                        pandasby pandas-dev

                                                                        Python doticon star image 38689 doticonVersion:v2.0.2doticon License: Permissive (BSD-3-Clause)

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

                                                                                  • Used in Analytics, Data Visualization, Pandas applications, etc.
                                                                                  • Allows visualizing statistical models and distributions.
                                                                                  • Built on top of Matplotlib.

                                                                                  seabornby mwaskom

                                                                                  Python doticonstar image 10797 doticonVersion:v0.12.2doticon
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                                                                                  Statistical data visualization in Python

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                                                                                            seabornby mwaskom

                                                                                            Python doticon star image 10797 doticonVersion:v0.12.2doticon License: Permissive (BSD-3-Clause)

                                                                                            Statistical data visualization in Python
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                                                                                                      scikit-learn:

                                                                                                      • Used in Institutions, Learning, Education, Artificial Intelligence, Machine Learning, Pandas applications, etc. 
                                                                                                      • Offers various algorithms for classification, regression, clustering, and more.
                                                                                                      • Built on top of SciPy.

                                                                                                      scikit-learnby scikit-learn

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                                                                                                      scikit-learn: machine learning in Python

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                                                                                                                scikit-learnby scikit-learn

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                                                                                                                scikit-learn: machine learning in Python
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                                                                                                                          SymPy:

                                                                                                                          • Used for symbolic mathematics in Institutions, Learning, Education applications, etc.
                                                                                                                          • Includes algorithms for algebra, calculus, and equation solving.
                                                                                                                          • Written entirely in Python and depends on mpmath Python library.

                                                                                                                          sympyby sympy

                                                                                                                          Python doticonstar image 10857 doticonVersion:sympy-1.12doticon
                                                                                                                          License: Others (Non-SPDX)

                                                                                                                          A computer algebra system written in pure Python

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                                                                                                                                    sympyby sympy

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                                                                                                                                    A computer algebra system written in pure Python
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                                                                                                                                              Statsmodels:

                                                                                                                                              • Used for statistical modeling and hypothesis testing.
                                                                                                                                              • Offers linear and non-linear regression and time series analysis capabilities.
                                                                                                                                              • Provides a complement to SciPy for statistical computations.

                                                                                                                                              statsmodelsby statsmodels

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                                                                                                                                              Statsmodels: statistical modeling and econometrics in Python

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                                                                                                                                                        statsmodelsby statsmodels

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                                                                                                                                                        Statsmodels: statistical modeling and econometrics in Python
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