PDF to Markdown with vision models

Single tenant distributed scheduling

Symbolic manipulation of operator strings for quantum chemistry

Yet Another extended Hueckel Molecular Orbital Package

PySCF with auto-differentiation

My Cambridge Lecture Notes

public version of our general contraction code project

pix2tex: Using a ViT to convert images of equations into LaTeX code.

Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids.

Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python

Python module for quantum chemistry

general GTO integrals for quantum chemistry

Arbitrary-order derivatives of popular electronic structure methods, such as Hartree-Fock and coupled cluster theory.

QML: Quantum Machine Learning

hmglib - Hierarchical matrices on GPU(s) library

Small scripts for quickly plotting and munging data from the command line.

Code generator for Coupled Cluster theory