ChemistryAtlas Software and Tool
Psi4
Quantum chemistry enginesOpen/freechemistry softwareopen sourcePythonSAPTquantum chemistry
Open-source quantum chemistry package and Python ecosystem for DFT, MP2, coupled cluster, SAPT, and method development.
Primary category: Quantum chemistry engines.
Access model: Open/free.
Curated because it is commonly encountered in chemistry research, teaching, analysis, or computational workflows.
Citation: Software resource: Psi4