| Physical Chemistry | Not rated | 603 | $117,500 |
| Molecular Dynamics Simulation | Invest | 568 | $112,500 |
| Quantum Chemistry | Maintain | 355 | $72,500 |
| Solubility | Not rated | 321 | $92,500 |
| Wavefunction Titan | Maintain | 230 | $52,500 |
| Surface Science | Not rated | 224 | $72,500 |
| Chemical Physics | Maintain | 208 | $92,500 |
| Density Functional Theory | Invest | 191 | $72,500 |
| Surface Chemistry | Maintain | 187 | $132,500 |
| Green Chemistry | Invest | 162 | $102,500 |
| Theoretical Chemistry | Monitor | 145 | $122,500 |
| Photochemistry | Maintain | 128 | $92,500 |
| Molecular Structures | Maintain | 116 | $57,500 |
| Vienna Ab-Initio Simulation Package (VASP) | Invest | 103 | $72,500 |
| Solid State Chemistry | Maintain | 100 | — |
| Molecular Simulation | Invest | 99 | $152,500 |
| OpenMM | Maintain | 91 | $167,500 |
| Chemical Reactivity | Not rated | 88 | $102,500 |
| Density functional theory (DFT) | Invest | 79 | $62,500 |
| Molecular Interaction | Maintain | 63 | $107,500 |
| Thermodynamic Analysis | Maintain | 57 | — |
| NWChem | Maintain | 50 | $102,500 |
| Thermochemistry | Maintain | 47 | $112,500 |
| NAMD | Maintain | 42 | $107,500 |
| Gaussian | Maintain | 40 | — |
| Computational Chemistry Tools | Invest | 39 | — |
| Kinetic Analysis | Maintain | 30 | $147,500 |
| Chemistry at Harvard Molecular Mechanics CHARMm | Maintain | 27 | — |
| Chemoinformatics | Invest | 23 | — |
| Solution Chemistry | Not rated | 20 | $82,500 |
| Structural Chemistry | Maintain | 19 | — |
| Electrochemical Process Simulation | Invest | 18 | — |
| CP2K | Maintain | 15 | — |
| Radiation Chemistry | Maintain | 15 | — |
| ORCA | Maintain | 12 | — |
| Chemical Thermodynamics | Maintain | 7 | — |
| Assembly Energy Minimization | Invest | 5 | — |
| General Atomic and Molecular Electronic Structure System (GAMESS) | Maintain | 5 | — |
| Psi4 | Maintain | 5 | — |
| Molecular Geometry | Not rated | 4 | — |
| QChem | Maintain | 4 | — |
| Computer Aided Molecular Design | Invest | 2 | — |
| Molecular Orbitals | Not rated | 2 | — |
| Physical Theoretical Chemistry | Maintain | 2 | — |
| Collision Theory | Not rated | 1 | — |
| Thermal Chemistry | Maintain | 1 | — |
| COSMO-RS | Maintain | — | — |
| CPMD | Maintain | — | — |
| Car-Parrinello | Maintain | — | — |
| Chem 4-D | Monitor | — | — |
| ChemGraph | Monitor | — | — |
| Cryochemistry | Maintain | — | — |
| Crystallization Thermodynamics | Maintain | — | — |
| DL_POLY | Maintain | — | — |
| Dynamic Mechanisms | Not rated | — | — |
| Electrochemical CO2 Reduction Simulation | Invest | — | — |
| GAMESS-US | Maintain | — | — |
| Gaussian GaussView | Maintain | — | — |
| Hypercube HyperChem | Migrate | — | — |
| Interfacial Rheology | Maintain | — | — |
| Low-Temperature Chemistry | Maintain | — | — |
| Lubricant Viscosity Molecular Dynamics | Invest | — | — |
| Macromolecular Hydrodynamics | Maintain | — | — |
| Materials Physics Statistical | Maintain | — | — |
| Materials Theory Statistical | Maintain | — | — |
| Metal-Organic Framework Simulation | Invest | — | — |
| Molecular Properties of Compounds | Not rated | — | — |
| Molecular Theory | Not rated | — | — |
| Multiscale Materials Digital Twin Modeling | Invest | — | — |
| Nanoscale Process Modeling | Invest | — | — |
| Physical Computational Chemistry | Invest | — | — |
| Physical Experimental Chemistry | Not rated | — | — |
| Quantum Electrochemistry | Monitor | — | — |
| QuantumWise Atomistix ToolKit | Maintain | — | — |
| Resonance Effects | Not rated | — | — |
| Self-Assembly Simulation | Invest | — | — |
| Semichem AMPAC | Maintain | — | — |
| Sonochemistry | Monitor | — | — |
| Stewart Computational Chemistry (MOPAC) | Maintain | — | — |
| Sulfur Sonochemistry | Monitor | — | — |
| Surface Interaction | Not rated | — | — |
| Surface Tension Analysis | Maintain | — | — |
| Tautomerism | Not rated | — | — |
| Thermal Molecular Modeling | Maintain | — | — |
| Thermochemical Analysis | Maintain | — | — |
| Transparent Materials Simulation | Invest | — | — |
| Viscosity Calculations | Not rated | — | — |
| Wavefunction Spartan | Maintain | — | — |
| Yet another scientific artificial reality application (YASARA) | Maintain | — | — |