Topics / #scientific-computing

Scientific-computing projects on GitHub

Computing tools for science, from arrays to simulation frameworks.

As of , the most-starred Scientific-computing projects on GitHub are scikit-learn (67.7K stars), scientific-agent-skills (51.7K stars) and jax (36.5K stars). GitHub.Locker tracks 42 Scientific-computing repositories with 569.3K stars combined. The fastest-growing on October 16 was scientific-agent-skills, with +929 stars in a day.

42Projects
569.3KStars in total
+1.4KStars in a day
Browse in the catalog →github.com/topics/scientific-computing ↗

Hot right now

Most stars gained in a day · Oct 16

+929

scientific-agent-skills

K-Dense-AI/scientific-agent-skills · ★ 51.7K

Scientific Agent Skills is a library of 163 ready-to-use scientific and research skills that plug into any AI agent supporting the open Agent Skills standard, turning that agent into a research assistant for biology, chemistry, medicine, physics, and more.

+182

open-science

aipoch/open-science · ★ 5.1K

AIPOCH Open-Science is an open-source, local-first, model-agnostic AI research workbench that runs scientific AI agents to help with literature review, data analysis, code execution, and producing traceable research reports, tables, and figures.

+148

Deepgraph

billion-token-one-task/Deepgraph · ★ 1K

DeepGraph is the autonomous research agent of JouleBeat, an open-source AI self-improvement (RSI) lab. It reads scientific literature, finds open questions, runs real experiments, and lets the results decide what is true.

+39

codex-claude-academic-skills

zLanqing/codex-claude-academic-skills · ★ 5K

Three Claude Code / Codex Agent Skills built for Chinese academic researchers, covering the full research workflow: research-writing-skill for drafting and polishing papers, office-academic-skill for generating academic Word/PPT documents, and scientific-toolkit-skill for MATLAB/Python scientific computing and publication-quality figures.

The all-time top

42 projects · by stars

  1. #1 · scikit-learn/scikit-learn

    scikit-learn

    scikit-learn is a Python library for machine learning, offering ready-made algorithms for classification, regression, clustering, dimensionality reduction and more, built on top of SciPy.

    67.7K
  2. #2 · K-Dense-AI/scientific-agent-skills

    scientific-agent-skills

    Scientific Agent Skills is a library of 163 ready-to-use scientific and research skills that plug into any AI agent supporting the open Agent Skills standard, turning that agent into a research assistant for biology, chemistry, medicine, physics, and more.

    51.7K
  3. #3 · jax-ml/jax

    jax

    JAX is a Python library for accelerator-oriented array computation and program transformation, built for high-performance numerical computing and large-scale machine learning.

    36.5K
  1. 4

    numpy

    33Knumpy/numpy · Python

    NumPy is the fundamental package for scientific computing with Python — the array-and-math foundation that most numerical Python code builds on.

  2. 5

    genesis-world

    30.1KGenesis-Embodied-AI/genesis-world · Python

    It's a simulation platform for general-purpose robotics and embodied AI learning: a multi-physics engine, a photorealistic renderer (Nyx) and a cross-platform compiler (Quadrants) behind one Python API.

  3. 6

    taichi

    28.4Ktaichi-dev/taichi · C++

    Taichi Lang is an open-source language for high-performance GPU programming embedded in Python: you write Python-like code and its JIT compiler turns it into efficient parallel GPU or CPU machine code.

  4. 7

    Paddle

    24.1KPaddlePaddle/Paddle · C++

    PaddlePaddle is an open-source deep learning platform — China's first independently developed one, open-sourced since 2016 — spanning a core framework, model libraries, end-to-end dev kits and service platforms.

  5. 8

    prophet

    20.4Kfacebook/prophet · Python

    Prophet is an open-source forecasting procedure for time series: an additive model fits non-linear trends with yearly, weekly and daily seasonality plus holiday effects. It is aimed at series with strong seasonal effects and several seasons of history, and handles missing data, trend shifts and outliers well.

  6. 9

    plotly.py

    18.8Kplotly/plotly.py · Python

    An interactive, open-source graphing library for Python: you describe charts in Python code and get interactive figures rendered in the browser.

  7. 10

    ML-YouTube-Courses

    17.4Kdair-ai/ML-YouTube-Courses

    A curated index maintained by DAIR.AI that organizes the best and most recent machine learning and AI courses available on YouTube, from intro ML to deep learning, NLP, and reinforcement learning.

  8. 11

    networkx

    17.3Knetworkx/networkx · Python

    NetworkX is a Python package for creating, manipulating, and studying complex networks — collections of nodes connected by edges — together with algorithms for analyzing them.

  9. 12

    codon

    16.9Kexaloop/codon · Python

    Codon is a high-performance Python implementation that compiles your code straight to native machine code — typically 10-100x faster than vanilla Python on a single thread, on par with C/C++.

  10. 13

    ipython

    16.8Kipython/ipython · Python

    This is IPython — the enhanced interactive Python shell, pitched as 'productive interactive computing'. You use it instead of the bare python REPL for exploratory coding and data work.

  11. 14

    pykan

    16.3KKindXiaoming/pykan · Jupyter Notebook

    A Python implementation of Kolmogorov-Arnold Networks (KANs), a promising alternative to MLPs, released with the papers 'KAN: Kolmogorov-Arnold Networks' and 'KAN 2.0'.

  12. 15

    burn

    16.1Ktracel-ai/burn · Rust

    Burn is a Rust tensor library and deep learning framework for both training and inference, so the same code takes a model from prototype to production on everything from GPU clusters to the browser.

  13. 16

    gpu.js

    15.5Kgpujs/gpu.js · JavaScript

    GPU.js is a JavaScript library that takes the functions you write and runs them on your GPU as shaders instead of on the CPU — a big speedup for parallel math like matrix multiplication.

  14. 17

    scipy

    15.1Kscipy/scipy · Python

    SciPy (pronounced 'Sigh Pie') is an open-source Python library for mathematics, science, and engineering.

  15. 18

    or-tools

    14.2Kgoogle/or-tools · C++

    OR-Tools is Google's open-source software suite for combinatorial optimization: solvers and algorithms for problems like scheduling, routing, packing, and resource allocation.

  16. 19

    seaborn

    14.1Kmwaskom/seaborn · Python

    Seaborn is a Python visualization library based on matplotlib that provides a high-level interface for drawing attractive statistical graphics.

  17. 20

    dask

    13.9Kdask/dask · Python

    Dask is a flexible parallel computing library for analytics — it runs Python data workloads as scheduled tasks so they can use many cores or machines instead of a single process.

  18. 21

    cupy

    12.4Kcupy/cupy · Python

    CuPy is a NumPy/SciPy-compatible array library for GPU-accelerated computing with Python: you write ordinary Python array code, and it executes on NVIDIA or AMD GPUs.

  19. 22

    taskflow

    12.2Ktaskflow/taskflow · C++

    Taskflow is a C++ library that helps you write high-performance task-parallel programs with high programming productivity, letting you build and run graphs of dependent tasks across CPU threads and GPUs.

  20. 23

    libvips

    11.7Klibvips/libvips · C

    libvips is a fast image processing library with low memory needs, written in C. Compared to similar libraries it runs quickly and uses little memory, and it is demand-driven and horizontally threaded.

  21. 24

    numba

    11.2Knumba/numba · Python

    Numba is a Just-In-Time compiler that translates a subset of Python and NumPy code into fast machine code using LLVM, letting numerical functions run near C/Fortran speed without leaving Python.

  22. 25

    cython

    10.9Kcython/cython · Cython

    Cython is an optimising compiler for Python: it translates your Python code into C/C++ and compiles it into fast native extension modules. It is the most widely used Python to C compiler.

  23. 26

    xquad

    5.6KQuipNetwork/xquad · Python

    XQuad is a hardware-agnostic toolchain for expressing and running quadratic optimization problems (QUBO / Ising / discrete) across quantum annealers and classical solvers, acting as a common intermediate representation you write once and retarget to any supported backend.

  24. 27

    open-science

    5.1Kaipoch/open-science · TypeScript

    AIPOCH Open-Science is an open-source, local-first, model-agnostic AI research workbench that runs scientific AI agents to help with literature review, data analysis, code execution, and producing traceable research reports, tables, and figures.

  25. 28

    codex-claude-academic-skills

    5KzLanqing/codex-claude-academic-skills · Python

    Three Claude Code / Codex Agent Skills built for Chinese academic researchers, covering the full research workflow: research-writing-skill for drafting and polishing papers, office-academic-skill for generating academic Word/PPT documents, and scientific-toolkit-skill for MATLAB/Python scientific computing and publication-quality figures.

  26. 29

    openscience

    4Ksynthetic-sciences/openscience · TypeScript

    OpenScience is an open-source AI workbench for scientific research: give it a goal and it reads literature, writes and runs code, runs experiments, and writes up what it found.

  27. 30

    hexstellar

    1.4Kbrayonpi/hexstellar · Python

    HexStellar lets an AI agent hand off hard computational problems — optimization, quantum computing, scientific computing, and decision intelligence — to a managed service called Cortex, which executes them and returns structured, verifiable results with certainty labels and receipts.

  28. 31

    PythonCall.jl

    1.1KJuliaPy/PythonCall.jl · Julia

    PythonCall.jl (with its Python-side counterpart JuliaCall) lets you call Python code from Julia and Julia code from Python through a symmetric interface, converting objects between the two languages.

  29. 32

    Deepgraph

    1Kbillion-token-one-task/Deepgraph · Python

    DeepGraph is the autonomous research agent of JouleBeat, an open-source AI self-improvement (RSI) lab. It reads scientific literature, finds open questions, runs real experiments, and lets the results decide what is true.

  30. 33

    pyraimd

    714kpleo/pyraimd · Python

    Pyramid is an extensible Python framework for ab initio molecular dynamics: first-principles engines and machine-learned interatomic potentials (MLIPs) work together — reference calculations supply energies and forces while fast learned potentials propagate the atoms.

  31. 34

    sort-research-rs

    546Voultapher/sort-research-rs · Rust

    A test, benchmark and fuzzing suite for sort implementations, written in Rust. It also hosts a novel sort called ipnsort, vendored Rust, C++ and C sorts for comparison, and the resulting research papers.

  32. 35

    awesome-nuclear

    508paulromano/awesome-nuclear

    A curated directory of open source software for nuclear science and engineering: roughly 75 codes and tools spanning particle transport, nuclear data, fuel cycle, thermal hydraulics, and multiphysics, each a one-liner with a link.

  33. 36

    OpenCourant

    374OpenCourant/OpenCourant · Fortran

    OpenCourant is an open-source build of OpenRadioss, an explicit finite element solver used to simulate highly nonlinear dynamic events like crashes, impacts, and explosions.

  34. 37

    From-Calibrated-Confidence-to-Calibrated-Reliance

    304OliverDOU776/From-Calibrated-Confidence-to-Calibrated-Reliance · Python

    Companion code for an accepted ACM TSC paper: it implements the Reliance Calibration Error (RCE) metric, the g0-g3 confidence-display policies, and a reproducible CPU-only analysis of how well human-AI teams calibrate on displayed confidence.

  35. 38

    m4-sme-exploration

    245tzakharko/m4-sme-exploration · C

    A research project that microbenchmarks the Scalable Matrix Extension (SME) of Apple's M4 chip, measuring peak compute throughput for common matrix and vector operations and memory transfer rates.

  36. 39

    circuitRF

    231potatobeanradio/circuitRF · C#

    circuitRF is a lightweight, cross-platform EDA tool for RF and microwave circuit design: schematic capture with DC/S-parameter/harmonic-balance simulation and loadpull, a 2D/3D layout editor, and electromagnetic (MoM/FEM/FDTD) plus thermal FEM solvers, all in one application.

  37. 40

    umat-skill

    154xvchujin/umat-skill · Python

    A sanitized public set of 25 skills for OpenAI Codex, covering Abaqus UMAT/VUMAT development: constitutive mechanism routing, return mapping, tensor interfaces, state contracts, damage audits, tangent verification and hierarchical validation.

  38. 41

    rapl

    106JErnestoMtz/rapl · Rust

    rapl is a Rust library for N-dimensional arrays (ndarrays) that encodes the rank of an array in its type, so a rank mismatch becomes a compile error, combining ideas from NumPy and array languages like APL and BQN.

  39. 42

    KISS-Knowledge-Infrastructure-for-Scientific-Simulation

    40lzwei196/KISS-Knowledge-Infrastructure-for-Scientific-Simulation · Python

    KISS is a Knowledge Infrastructure (KI) framework that packages the operational expertise behind running scientific simulation models — how to prepare inputs, judge whether results are physically plausible, and recover from failures — so AI coding agents can run these models reliably, not just know their equations.

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