quantum-chemistry

deepchem

+16

Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

pennylane

+7

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.

cp2k/cp2k

+5

Quantum chemistry and solid state physics software package

awesome-quantum-software

+7

Curated list of open-source quantum software projects.

psi4/psi4

+1

Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python