scientific-computing

Turn any AI agent into an AI Scientist. The #1 Agent Skills library for science, used by 190,000+ scientists worldwide. 165 ready-to-use validated skills plus 100+ scientific databases covering biology, chemistry, medicine, and drug discovery. Compatible with Cursor, Claude Code, Codex, Pi, Antigravity, and the open Agent Skills standard.

Burn is a next generation tensor library and Deep Learning Framework that doesn't compromise on flexibility, efficiency and portability.

SciPy library main repository

XGo is a programming language that reads like plain English. But it's also incredibly powerful — it lets you leverage assets from C/C++, Go, Python, and JavaScript/TypeScript, creating a unified software engineering ecosystem. Our vision is to enable everyone to become a builder of the world.

Gonum is a set of numeric libraries for the Go programming language. It contains libraries for matrices, statistics, optimization, and more

✨ The fundamental numerical library for JavaScript and TypeScript. ✨

mlpack: a fast, header-only C++ machine learning library

The fastest and most memory efficient lattice Boltzmann CFD software, running on all GPUs and CPUs via OpenCL. Free for non-commercial use.

A flexible package manager that supports multiple versions, configurations, platforms, and compilers.

Matplot++: A C++ Graphics Library for Data Visualization 📊🗾

ArrayFire: a general purpose GPU library.

A Rust machine learning framework.

ndarray: an N-dimensional array with array views, multidimensional slicing, and efficient operations

C++ implementation of the Python Numpy library

The open-source AI workbench for scientific research

BS::thread_pool: a fast, lightweight, modern, and easy-to-use C++17 / C++20 / C++23 thread pool library

Open-source software for volunteer computing and grid computing.

Run, compile and execute JavaScript for Scientific Computing and Data Visualization TOTALLY TOTALLY TOTALLY in your BROWSER! An open source scientific computing environment for JavaScript TOTALLY in your browser, matrix operations with GPU acceleration, TeX support, data visualization and symbolic computation.

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, Matlab/Octave, Julia or Javascript

Lightweight, general, scalable C++ library for finite element methods

ruptures: change point detection in Python

The Universal Storage Engine

CUDA integration for Python, plus shiny features

a Productive Parallel Programming Language

Linear algebra, eigenvalues, FFT, Bessel, elliptic, orthogonal polys, geometry, NURBS, numerical quadrature, 3D transfinite interpolation, random numbers, Mersenne twister, probability distributions, optimisation, differential equations.

Shadow is a discrete-event network simulator that directly executes real application code, enabling you to simulate distributed systems with thousands of network-connected processes in realistic and scalable private network experiments using your laptop, desktop, or server running Linux.

The development repository for the deal.II finite element library

High-performance automatic differentiation of LLVM and MLIR.

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.

:sunglasses: Curated list of awesome software for numerical analysis and scientific computing