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  • Yale Department of Chemistry
  • New Haven, CT

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Provides compile-time contraction pattern analysis to determine optimal tensor operation to perform.

C++ 59 9 Updated Apr 9, 2025

C++ library for representing and handling of permutation groups.

C++ 3 1 Updated Apr 9, 2025

A number of examples built on the method described in https://arxiv.org/abs/2005.06081 for solving nonlinear and integro-differential Volterra equations

Julia 5 2 Updated Oct 15, 2024

🍦 Never use cout/printf to debug again

C++ 701 35 Updated Mar 5, 2025

Python-based plane wave density functional theory code for educational purposes

Python 25 1 Updated Mar 17, 2025

nsync is a C library that exports various synchronization primitives, such as mutexes

C 1,162 88 Updated Apr 9, 2025

Buzz Matrix

C 2 3 Updated Feb 27, 2020

Project Cytnx, A Cross-section of Python & C++,Tensor network library

C++ 42 17 Updated Apr 12, 2025

Miller is like awk, sed, cut, join, and sort for name-indexed data such as CSV, TSV, and tabular JSON

Go 9,257 223 Updated Apr 8, 2025
Python 2 Updated Jan 24, 2025

Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters

Fortran 42 26 Updated Mar 20, 2025

Python wrapper for Intel Math Kernel Library (MKL) matrix multiplication

Python 83 11 Updated Mar 15, 2025
Python 11 1 Updated Apr 1, 2025

Code generation library for C++ written in C++17

C++ 23 1 Updated Dec 1, 2023

YASK--Yet Another Stencil Kit: a domain-specific language and framework to create high-performance stencil code for implementing finite-difference methods and similar applications.

C++ 107 31 Updated Jul 25, 2024

Global Arrays User Manual

TeX 3 Updated Jul 26, 2024

Samples for CUDA Developers which demonstrates features in CUDA Toolkit

C 7,316 2,005 Updated Mar 12, 2025

Linux Cross-Memory Attach

C++ 19 6 Updated Nov 5, 2024

An efficient C++17 GPU numerical computing library with Python-like syntax

C++ 1,312 96 Updated Apr 16, 2025

PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.

Python 46 15 Updated Apr 14, 2025

Computational Chemistry Input Generator

Python 43 7 Updated Nov 13, 2024

do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals

Python 82 19 Updated Jun 8, 2024

A simple OpenGL volume renderer.

C++ 5 1 Updated May 11, 2021

The Fastest Deep Reinforcement Learning Library

C++ 781 29 Updated Apr 2, 2025

Good source layout with Flex and Bison

Lex 19 Updated Jul 21, 2021

Automatic C++ library api documentation generation: breathe doxygen in and exhale it out.

Python 229 49 Updated Aug 9, 2024

KaMPIng: (Near) zero-overhead MPI wrapper for modern C++

C++ 50 2 Updated Mar 16, 2025
C 3 Updated Oct 1, 2024

MPI4All: Universal Binding Generation for MPI Parallel Programming

Python 6 Updated Mar 14, 2025

JBIG2 Encoder

C++ 3 Updated May 10, 2024
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