10 Best Python Scientific Computing Libraries 2024

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by Kanika Maheshwari dot icon Updated: Feb 15, 2024

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Here are some famous Python Scientific Computing Libraries. Some of the Python Scientific Computing Libraries' use cases include Data Analysis, Machine Learning, Image Processing, Natural Language Processing, and Scientific Computing.


Python scientific computing libraries is a collection of packages that provide a wide range of numerical and scientific computing functionality. These libraries provide functions for numerical analysis, linear algebra, Fourier transforms, optimization, and plotting. They are used extensively in scientific and engineering applications, as well as for data analysis and machine learning tasks.


Let us look at some of the famous Python Scientific Libraries in detail below.

scikit-learn

  • Wide variety of supervised and unsupervised learning algorithms.
  • Includes functions for model selection and optimization.
  • Comprehensive documentation and tutorials.

scikit-learnby scikit-learn

Python doticonstar image 54584 doticonVersion:1.2.2doticon
License: Permissive (BSD-3-Clause)

scikit-learn: machine learning in Python

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            scikit-learnby scikit-learn

            Python doticon star image 54584 doticonVersion:1.2.2doticon License: Permissive (BSD-3-Clause)

            scikit-learn: machine learning in Python
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                      pandas

                      • Provides a wide range of tools for transforming and manipulating data.
                      • Provides a powerful set of built-in tools for quickly exploring and analyzing data.
                      • Integrates with popular data visualization packages like Matplotlib and Seaborn.

                      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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                                          numpy

                                          • Offers linear algebra, Fourier transform, and random number capabilities.
                                          • Highly optimized and efficient, making it a great choice for scientific computing.
                                          • Offers powerful multi-dimensional array objects.

                                          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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                                                              matplotlib

                                                              • Supports various types of data formats, such as CSV, JSON, and HDF5.
                                                              • Highly extensible, and users can easily create their own customizations and extensions.
                                                              • Supports different types of graphs, including histograms, bar charts, scatter plots, pie charts, and more.

                                                              matplotlibby matplotlib

                                                              Python doticonstar image 17559 doticonVersion:v3.7.1doticon
                                                              no licences License: No License (null)

                                                              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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                                                                                  ipython

                                                                                  • Provides a number of “magic functions” that can be used to make programming easier and more efficient.
                                                                                  • Supports rich output, which includes displaying images, videos, and more in the notebook.
                                                                                  • Provides an interactive shell that allows you to quickly test out ideas and explore data.

                                                                                  ipythonby ipython

                                                                                  Python doticonstar image 15842 doticonVersion:7.18.1doticon
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                                                                                  Official repository for IPython itself. Other repos in the IPython organization contain things like the website, documentation builds, etc.

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                                                                                            ipythonby ipython

                                                                                            Python doticon star image 15842 doticonVersion:7.18.1doticon License: Permissive (BSD-3-Clause)

                                                                                            Official repository for IPython itself. Other repos in the IPython organization contain things like the website, documentation builds, etc.
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                                                                                                      scipy

                                                                                                      • Comprehensive library of numerical algorithms, including optimization, linear algebra etc.
                                                                                                      • Easy-to-use data structures for representing a wide range of scientific data.
                                                                                                      • High-level interactive plotting capabilities for data visualization.

                                                                                                      scipyby scipy

                                                                                                      Python doticonstar image 11340 doticonVersion:v1.11.0rc1doticon
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                                                                                                      SciPy library main repository

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                                                                                                                scipyby scipy

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                                                                                                                SciPy library main repository
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                                                                                                                          sympy

                                                                                                                          • Symbolic mathematics library that allows users to solve equations symbolically and to manipulate and simplify expressions.
                                                                                                                          • Capable of performing more advanced algebraic manipulations than other Python scientific computing libraries.
                                                                                                                          • Supports arbitrary precision arithmetic, allowing users to work with numbers that have hundreds of digits of accuracy.

                                                                                                                          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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                                                                                                                                              Theano

                                                                                                                                              • Use GPUs to speed up computation.
                                                                                                                                              • Optimize the user's code for maximum performance.
                                                                                                                                              • Allows the user to define symbolic variables, representing a mathematical expression.

                                                                                                                                              Theanoby Theano

                                                                                                                                              Python doticonstar image 9721 doticonVersion:Currentdoticon
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                                                                                                                                              Theano was a Python library that allows you to define, optimize, and evaluate mathematical expressions involving multi-dimensional arrays efficiently. It is being continued as aesara: www.github.com/pymc-devs/aesara

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                                                                                                                                                        Theanoby Theano

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                                                                                                                                                        Theano was a Python library that allows you to define, optimize, and evaluate mathematical expressions involving multi-dimensional arrays efficiently. It is being continued as aesara: www.github.com/pymc-devs/aesara
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                                                                                                                                                                  numba

                                                                                                                                                                  • Allows code to be optimized and compiled to native machine instructions.
                                                                                                                                                                  • Supports a wide range of standard Python types, including lists, dictionaries, and custom objects.
                                                                                                                                                                  • Provides native support for GPU programming, allowing for efficient processing of large datasets.

                                                                                                                                                                  numbaby numba

                                                                                                                                                                  Python doticonstar image 8681 doticonVersion:0.57.0doticon
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                                                                                                                                                                  NumPy aware dynamic Python compiler using LLVM

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                                                                                                                                                                            numbaby numba

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                                                                                                                                                                            NumPy aware dynamic Python compiler using LLVM
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                                                                                                                                                                                      statsmodels

                                                                                                                                                                                      • Comprehensive statistical tests and robust hypothesis testing capabilities.
                                                                                                                                                                                      • Powerful statistical visualization capabilities.
                                                                                                                                                                                      • Robust and extensible model selection algorithms.

                                                                                                                                                                                      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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