#quantum-chemistry

PennyLane is an open-source quantum software platform for quantum computing, quantum machine learning, and quantum chemistry. Create meaningful quantum algorithms, from inspiration to implementation.

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

A high-performance toolkit for quantum and classical chemistry calculations.