#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.

A high-performance toolkit for quantum and classical chemistry 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