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A Python package for wave function-based quantum embedding

Python 34 8 Updated Apr 1, 2025

Coupled-cluster package written in Python.

Fortran 38 5 Updated Apr 24, 2025

A simple Python package for performing general configuration interaction calculations.

Python 2 Updated Apr 5, 2025

Sample-based Quantum Diagonalization: Classically postprocess noisy quantum samples to yield more accurate eigenvalue estimations.

Python 53 15 Updated Apr 15, 2025

A plugin to use Nvidia GPU in PySCF package

Cuda 195 36 Updated Apr 23, 2025

QUICK: A GPU-enabled ab intio quantum chemistry software package

C 170 47 Updated Apr 17, 2025