#Scientific-computing
Showing 60 of 115 repositories tagged #scientific-computing, ranked by stars
Turn any AI agent into an AI Scientist. The #1 Agent Skills library for science, used by 160,000+ scientists worldwide. 140 ready-to-use 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
A flexible package manager that supports multiple versions, configurations, platforms, and compilers.
Matplot++: A C++ Graphics Library for Data Visualization 📊🗾
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
Sequential model-based optimization with a `scipy.optimize` interface
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.
The Universal Storage Engine
High-performance automatic differentiation of LLVM and MLIR.
Owl - OCaml Scientific Computing @ https://ocaml.xyz
[CONTRIBUTORS WELCOME] Generalized Additive Models in Python
A language and runtime for distributed, incremental data processing in the cloud
A comprehensive library for machine learning and numerical computing. Apply Machine Learning with Rust leveraging first principles.
Geant4 toolkit for the simulation of the passage of particles through matter - NIM A 506 (2003) 250-303
Knee point detection in Python :chart_with_upwards_trend:
⚡ Datoviz: high-performance GPU rendering for scientific data visualization
A library for solving differential equations using neural networks based on PyTorch, used by multiple research groups around the world, including at Harvard IACS.
OpenCL for Rust
Learn Julia the hard way!
Comprehensive optical design, optimization, and analysis in Python, including GPU-accelerated and differentiable ray tracing via PyTorch.
Rust numeric library with high performance and friendly syntax
Advanced and Fast Data Transformation in R
Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Schake, Bolz, et al. (2025), https://doi.org/10.1093/nar/gkaf361
Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
An elegant Python interface for visualization on the web platform to interactively generate insights into multidimensional images, point sets, and geometry.
PyGMTSAR (Python InSAR): Powerful and Accessible Satellite Interferometry
Framework of fast implementation data processing and operating pipelines
Main yt repository
VisIt - Visualization and Data Analysis for Mesh-based Scientific Data
Tool-box for efficient build and debug in Python. Especially for Scientific Computing and Computer Vision.
GPU-accelerated micromagnetic simulator
Python package for solving partial differential equations using finite differences.
Read only copy of https://gitlab.com/scilab/scilab
Directory of Fortran codes on GitHub, arranged by topic
Clouds Coder is a local-first coding agent platform centered on separating the CLI execution plane from the Web user plane, with Web UI, Skills Studio, resilient streaming, and long-task recovery controls.
A curated list of awesome scientific Python resources
Powerful, efficient particle trajectory analysis in scientific Python.
GDL - GNU Data Language
Implementation of the paper "Self-Adaptive Physics-Informed Neural Networks using a Soft Attention Mechanism" [AAAI-MLPS 2021]
Galactic Dynamics in python
Golang RServe client. Use R from Go
Distributed tensors and Machine Learning framework with GPU and MPI acceleration in Python
Open-source runtime for math. Write MATLAB syntax, run on CPU + GPU across platforms (Mac/Win/Linux/Web).
A Python toolbox for quantitative, reproducible flow cytometry analysis
Relational Workflows: where database schemas define executable data pipelines.
Rust Scientific Library. ODE, DAE (Runge-Kutta), and PDE solvers. Special functions (Bessel, Elliptic, Beta, Gamma, Erf). Linear algebra. Sparse solvers (MUMPS, UMFPACK). Probability distributions. Tensor calculus. Numerical continuation.
Collection of Python learning resources
Quantify uncertainty and sensitivities in your computer models with an industry-grade Monte Carlo library.
Plotly for C++. A C++ interface to the Plotly.js figure spec, for creating interactive data visualizations.
SCIRun is a Problem Solving Environment, for modeling, simulation and visualization of scientific problems. This is version 5, the upgraded version of SCIRun v4.
The Go/XGo Interpreter
The Nelson Programming Language