Repository Index

A Python native dynamical system simulation framework in the block diagram paradigm.

• blockdiagram
• control-systems
• hierarchical-modeling
• nonlinear-dynamics

Large collection of number systems providing custom arithmetic for mixed-precision algorithm development and optimization for AI, Machine Learning, Computer Vision, Signal Processing, CAE, EDA, control, optimization, estimation, and approximation.

• arithmetic
• integer-arithmetic
• fixed-point-arithmetic
• rational-arithmetic

Official repository for the ProteinGym benchmarks

• benchmark
• computational-biology
• protein
• protein-design

Ruby/Numo::NArray - New NArray class library

• numo
• narray
• ruby
• ruby-numo

Tools for computational pathology

• machine-learning
• digital-pathology
• computational-pathology
• biomedical-image-processing

Python-centric Cookiecutter for Molecular Computational Chemistry Packages

• cookiecutter
• python-packages
• molecular-sciences
• conda-environment

A C++14-compatible physical units library with no dependencies and a single-file delivery option. Emphasis on safety, accessibility, performance, and developer experience.

• cpp
• cpp14
• cpp14-library
• dimensional-analysis

The fastest automatic differentiation library for C++, with Python bindings. Forward, adjoint and higher-order derivatives, checkpointing, Eigen support and JIT. Reproducible benchmarks against CppAD, Adept and autodiff.

• automatic-differentiation
• aad
• algorithmic-differentiation
• autodiff

Exascale multiphase flow solver — 2025 Gordon Bell Prize Finalist | 200T grid points on 43K+ GPUs

• gpu
• exascale
• cfd
• fortran

Parsers and algorithms for computational chemistry logfiles

• python
• computational-chemistry
• quantum-chemistry

GEARS is a geometric deep learning model that predicts outcomes of novel multi-gene perturbations

V library to develop Artificial Intelligence and High-Performance Scientific Computations

• v
• hacktoberfest
• linear-algebra
• optimization

Quantum Computer Library for Everyone

• quantum
• python
• quantum-computing
• quantum-algorithms

Neural networks toolbox focused on medical image analysis

• python
• keras
• convolutional-neural-networks
• brain

Math.NET Symbolics

• computer-algebra
• mathnet
• dotnet
• fsharp

One open-source modeler for structures, heat and fluids, built from scratch in pure Rust: parametric part in, verified results out. Automatic all-hex and tet meshing, our own nonlinear implicit and explicit FEA, heat transfer and lattice Boltzmann CFD — every result checked against theory. For engineers and AI agents alike. Free, forever.

• cae
• cfd
• computational-mechanics
• explicit-dynamics

Ark -- Archetype-based Entity Component System (ECS) for Go.

• ecs
• entity-component-system
• go
• golang

City Energy Analyst (CEA) is an open-source urban building energy modeling (UBEM) platform and computation tool for the design of low-carbon and highly efficient cities.

• python
• urban-design
• urban-analytics
• ubem

Descriptor computation(chemistry) and (optional) storage for machine learning

Kaapana is an open source toolkit for state of the art platform provisioning in the field of medical data analysis. The applications comprise AI-based workflows and federated learning scenarios with a focus on radiological and radiotherapeutic imaging. The name Kaapana comes from the Hawaiian word kaʻāpana, meaning "distributor" or "part".

• imaging
• ai
• cloud-computing
• medical-imaging

CEED Library: Code for Efficient Extensible Discretizations

• ceed
• high-order
• exascale-computing
• api

Open source math and physics engine that executes MATLAB-syntax code. Features a modern compiler, automatic GPU acceleration for large calculations, and support for math on geometry / FEA calculations.

• matlab
• rust
• jit-compiler
• linear-algebra

Matrix Algebra proGrams In Common Lisp.

• common-lisp
• matrix-algebra
• linear-algebra

Formal proof of the Four Color Theorem [maintainer=@ybertot]

• coq
• ssreflect
• mathcomp
• four-color-theorem