47,133 repositories indexed
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Linear algebra, eigenvalues, FFT, Bessel, elliptic, orthogonal polys, geometry, NURBS, numerical quadrature, 3D transfinite interpolation, random numbers, Mersenne twister, probability distributions, optimisation, differential equations.
The development repository for the deal.II finite element library
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
A Python library for quantum programming using Quil.
Computational Geometry Unity library with implementations of intersection algorithms, triangulations like delaunay, voronoi diagrams, polygon clipping, bezier curves, ear clipping, convex hulls, mesh simplification, etc
An efficient C++20 GPU numerical computing library with Python-like syntax
Primary repository for the Trilinos Project
SymEngine is a fast symbolic manipulation library, written in C++
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.
Owl - OCaml Scientific Computing @ https://ocaml.xyz
Brian is a free, open source simulator for spiking neural networks.
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
:chart_with_upwards_trend: Adaptive: parallel active learning of mathematical functions
Fast Clojure Matrix Library
Cloud-native genomic dataframes and batch computing
WebGL accelerated JavaScript molecular graphics library
A coupling library and ecosystem for partitioned multi-physics and multi-scale simulations, including surface and volume coupling.
:four_leaf_clover: Evolutionary optimization library for Go (genetic algorithm, partical swarm optimization, differential evolution)
C++ library for solving large sparse linear systems with algebraic multigrid method
Open-source cross-platform symbolic algebra library for C# and F#. Can be used for both production and research purposes.
Qhull development for www.qhull.org -- Qhull 2020.2 (8.1-alpha1) at https://github.com/qhull/qhull/wiki
Pathology Foundation Model - Nature Medicine
OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research
A Go package for engineering organisms.