WagnerGroup/pyqmc

Deep learning quantum Monte Carlo for electrons in real space

An implementation of the Fermionic Neural Network for ab-initio electronic structure calculations

Python package for compiling and analyzing quantum algorithms to simulate electronic structures.

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 with full performance portable GPU support

An efficient and fully parallelized pure python DFT and electronic structure code with GPU acceleration through just-in-time compilation

Python module for quantum chemistry

OpenFermion plugin to interface with the electronic structure package PySCF.

Efficient parallel quantum chemistry DMRG in MPO formalism

JAX accelerated Quantum Monte Carlo