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Top 23 C++ Scientific Computing Projects
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FluidX3D
The fastest and most memory efficient lattice Boltzmann CFD software, running on all GPUs and CPUs via OpenCL. Free for non-commercial use.
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thread-pool
BS::thread_pool: a fast, lightweight, modern, and easy-to-use C++17 / C++20 / C++23 thread pool library
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casadi
CasADi is a symbolic framework for numeric optimization implementing automatic differentiation in forward and reverse modes on sparse matrix-valued computational graphs. It supports self-contained C-code generation and interfaces state-of-the-art codes such as SUNDIALS, IPOPT etc. It can be used from C++, Python or Matlab/Octave.
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ITK
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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Kratos
Kratos Multiphysics (A.K.A Kratos) is a framework for building parallel multi-disciplinary simulation software. Modularity, extensibility and HPC are the main objectives. Kratos has BSD license and is written in C++ with extensive Python interface. (by KratosMultiphysics)
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ExprTK
C++ Mathematical Expression Parsing And Evaluation Library https://www.partow.net/programming/exprtk/index.html
Project mention: Show HN: ExprTk High-Performance C++ Math Expression Parser Evaluation Engine | news.ycombinator.com | 2026-01-16 -
preCICE
A coupling library and ecosystem for partitioned multi-physics and multi-scale simulations, including surface and volume coupling.
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avogadrolibs
Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
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C++ Scientific Computing discussion
C++ Scientific Computing related posts
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C++ implementation of the Python NumPy library
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Profiling Specific Code Segments of Applications
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Forscape – A Language and Editor for Scientific Computation
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LeanDojo: Theorem Proving in Lean Using LLMs
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Why Wolfram uses square brackets for function calls
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What's the best way to get my language stress tested?
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Nelson Numerical Software
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A note from our sponsor - SaaSHub
www.saashub.com | 6 Jun 2026
Index
What are some of the best open-source Scientific Computing projects in C++? This list will help you:
| # | Project | Stars |
|---|---|---|
| 1 | mlpack | 5,653 |
| 2 | FluidX3D | 5,115 |
| 3 | ArrayFire | 4,887 |
| 4 | matplotplusplus | 4,838 |
| 5 | NumCpp | 3,963 |
| 6 | thread-pool | 2,997 |
| 7 | boinc | 2,406 |
| 8 | casadi | 2,218 |
| 9 | mfem | 2,174 |
| 10 | TileDB | 2,059 |
| 11 | dealii | 1,677 |
| 12 | ITK | 1,621 |
| 13 | Trilinos | 1,395 |
| 14 | Kratos | 1,274 |
| 15 | ExprTK | 993 |
| 16 | preCICE | 938 |
| 17 | amgcl | 864 |
| 18 | amrex | 754 |
| 19 | VexCL | 721 |
| 20 | avogadrolibs | 633 |
| 21 | blitz | 417 |
| 22 | feelpp | 330 |
| 23 | gdl | 309 |