| Pacific Northwest Labs, suite of programs: NWChem | DESCRIPTION |
| The MacroModel program by Schrodinger | DESCRIPTION |
| The Gaussian suite of programs | DESCRIPTION |
| The GAMESS program | DESCRIPTION |
| The HyperChem programs of Hypercube, Inc. | DESCRIPTION |
| The CAChe software packages from Fujitsu | DESCRIPTION |
| The Spartan sofware package of Wavefunction, Inc. | DESCRIPTION |
| The MOPAC program of CambridgeSoft | DESCRIPTION |
| The Amber program of Prof. Peter Kollman, University of California, San Francisco | DESCRIPTION |
| The CHARMm program | DESCRIPTION |
| The programs of Accelrys, Inc. | DESCRIPTION |
| The COLUMBUS program | DESCRIPTION |
| The CADPAC program of Dr. Roger Amos | DESCRIPTION |
| The ACES II program of Prof. Rod Bartlett. | DESCRIPTION |
| The MOLCAS program of Prof. Bjorn Roos. | DESCRIPTION |
| The MOLPRO quantum chemistry package of Profs. Werner and Knowles | DESCRIPTION |
| The Vienna Ab Initio Simulations Package (VASP) | DESCRIPTION |
| IQmol is a free open-source molecular editor and visualization package. | DESCRIPTION |
| IBM's Qiskit is an open source SDK for working with quantum computers at the level of pulses, circuits and algorithms. | DESCRIPTION |
| IBM's Quantum Experience offers cloud access to the most advanced quantum computers available. Learn, develop, and run programs on our systems with IBM Quantum Experience | DESCRIPTION |
| The Quantum Espresso project | DESCRIPTION |
| The PyQuant python library | DESCRIPTION |
| The QuTip Quantum Toolbox is an open-source python software package for simulating the dynamics of open quantum systems | DESCRIPTION |
| QMCTorch is a pytorch (fast) implementation of real space quantum monte carlo simulations of molecular systems. Those interested in applications of neural networks in chemistry might enjoy this | DESCRIPTION |
| The open source quantum chemistry library Psi4 | DESCRIPTION |
| The ORCA suite | DESCRIPTION |
| The Molecular Workbench is a cool tool for visualizations, interactive simulations for teaching, and learning science | Probably Move to Educational Resources Page |
| Phet provides interactive simulations for science (quantum mechanics, etc...) and math | Probably Move to Educational Resources Page |
| For fans of statistical mechanics, diagnlarguements.com provides multiple Ising Model visualization suites | Probably Move to Educational Resources Page |
| The University of St Andrews hosts a wonderful quantum mechanics visualization toolkit - QuVis | Probably Move to Educational Resources Page |
| Professor Daniel Schroeder hosts a variety of educational physics software suites | Probably Move to Educational Resources Page |
| Falstad's math and physics applets are a good resource for quantum mechanical visualizations for education purposes | Probably Move to Educational Resources Page |
| Physlet Quantum Physics is a remarkably vast and extensive quantum mechanics visualization project | Probably Move to Educational Resources Page |
| This project is an absolutely stunningly beautiful fluids interactive simulation | Probably Move to Educational Resources Page |
| Quatomic has developed a modern software suite for Quantum Optimal Control | Probably Move to Educational Resources Page |
| WebMO is a web-based interface to computational chemistry packages. | Probably Move to Educational Resources Page |