Collection of various algorithms in mathematics, machine learning, computer science and physics implemented in C++ for educational purposes.

C++ tensors with broadcasting and lazy computing

Jupyter kernel for the C++ programming language

nanobind: tiny and efficient C++/Python bindings

CMake Cookbook recipes.

OpenMM is a toolkit for molecular simulation using high performance GPU code.

C++ and Python support for the CUDA Quantum programming model for heterogeneous quantum-classical workflows

Fast C++ and Python library for state-vector simulation of quantum circuits.

Variational Quantum Circuit Simulator for Quantum Computation Research

A C++ library for efficient tensor network calculations

A Cuda/Thrust implementation of fingerprint similarity searching

Efficient parallel quantum chemistry DMRG in MPO formalism

A Wick theorem kernel written in C++ and interfaced with Python

An open source program for the description of metastable electronic states in molecules.

Examples for binding C++ and Python

Computer Architecture and C++ courses from the MolSSI Software Summer School

OpenMP tutorial