binghuang2018's repositories
cam-notes
My Cambridge Lecture Notes
cc
Code generator for Coupled Cluster theory
datatools
Small scripts for quickly plotting and munging data from the command line.
GeCCo-public
public version of our general contraction code project
hmglib
hmglib - Hierarchical matrices on GPU(s) library
LaTeX-OCR
pix2tex: Using a ViT to convert images of equations into LaTeX code.
hummingqueue
Single tenant distributed scheduling
libcint
general GTO integrals for quantum chemistry
psi4
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
pyscf
Python module for quantum chemistry
pyscfad
PySCF with auto-differentiation
qmc4aqml
A small dataset for testing multi-level quantum machine learning models aiming for QMC accuracy
qmcpack
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.
qml
QML: Quantum Machine Learning
Quax
Arbitrary-order derivatives of popular electronic structure methods, such as Hartree-Fock and coupled cluster theory.
wick
Symbolic manipulation of operator strings for quantum chemistry
yaehmop
Yet Another extended Hueckel Molecular Orbital Package