Best Chemistry Simulation Software in 2026
Updated
In short: Atomency is ranked #1 of 32 as of 4 October 2026, ahead of Beyond Labz and ChemViz3D. The best-ranked option with a free plan is Beyond Labz.
Chemistry simulation software can support learning and teaching through molecular models, equation tools, reaction simulation, and virtual labs. The ranked entries are compared on those capabilities as well as content languages and delivery. Free-plan availability, paid-from pricing, and student account limits offer further details to weigh. ChemCollective Virtual Lab and Interactive Chemistry lead the entries, followed by Atomency and Polychem. Consider the activities you want learners to explore and the access model that suits your setting; the listed features and account limits can help you compare options for that purpose.
32 chemistry simulation software ranked on what their makers publish — plans and prices, free tiers, platforms and the facts on their own pages.
| # | Platform | Score | Why | From | Free plan | Paid from | Virtual labs | |
|---|---|---|---|---|---|---|---|---|
| 1 | Atomency | 5.8 | RecognisedAPIDocumented | Free | Yes | — | Yes | View |
| 2 | Beyond Labz | 5.8 | RecognisedAPIDocumented | Free | Yes | — | — | View |
| 3 | ChemViz3D | 5.8 | RecognisedAPIDocumented | Free | Yes | — | No | View |
| 4 | Interactive Chemistry | 5.8 | RecognisedAPIDocumented | Free | Yes | — | Yes | View |
| 5 |  PhET Interactive Simulations | 5.8 | RecognisedAPIDocumented | Free | Yes | — | — | View |
| 6 |  Polychem | 5.8 | RecognisedAPIDocumented | — | Yes | — | Yes | View |
| 7 |  ChemCollective Virtual Lab | 5.7 | RecognisedAPIDocumented | Free | Yes | — | — | View |
| 8 |  Molecular Workbench | 5.7 | RecognisedAPIDocumented | Free | Yes | — | — | View |
| 9 | BioSCRAPE | 5.5 | RecognisedAPIDocumented | — | Yes | — | No | View |
| 10 |  ChemTube3D | 5.5 | RecognisedAPIDocumented | Free | Yes | — | Yes | View |
| 11 |  Vic’s Science Studio | 5.5 | RecognisedAPIDocumented | — | Yes | — | Yes | View |
| 12 |  ChemLab | 5.4 | RecognisedAPIDocumented | — | No | — | Yes | View |
| 13 | Kalzium | 5.4 | RecognisedAPIDocumented | — | Yes | — | No | View |
| 14 |  MoleculAR | 5.4 | RecognisedAPIDocumented | — | Yes | — | — | View |
| 15 |  MoluCAD | 5.4 | RecognisedAPIDocumented | — | Yes | — | — | View |
| 16 |  MolView | 5.4 | RecognisedAPIDocumented | — | Yes | — | — | View |
| 17 |  MyChemLab AI | 5.4 | RecognisedAPIDocumented | — | Yes | — | Yes | View |
| 18 |  VR Chemistry Lab | 5.4 | RecognisedAPIDocumented | — | Yes | — | Yes | View |
| 19 | Collisions Higher Education | 5.3 | RecognisedAPIDocumented | — | Yes | — | — | View |
| 20 | Equilipy | 5.3 | RecognisedAPIDocumented | — | Yes | — | — | View |
| 21 |  Virtual Labs | 5.3 | RecognisedAPIDocumented | — | Yes | — | — | View |
| 22 | NMRInversions.jl | 5.2 | RecognisedAPIDocumented | — | Yes | — | — | View |
| 23 | Amsterdam Density Functional | 5.0 | RecognisedAPIDocumented | — | — | — | No | View |
| 24 |  Futuclass Chemistry VR | 5.0 | RecognisedAPIDocumented | — | — | — | Yes | View |
| 25 |  ODYSSEY Student Edition | 5.0 | RecognisedAPIDocumented | — | No | — | Yes | View |
Is your platform on this list?
Numbered spots on this list can be sponsored. They are labelled, and the editorial order and scores never change for payment.
Questions about this list
Which chemistry simulation software is ranked first on Inferse?
Atomency is ranked #1 of 32 with a score of 5.8. Beyond Labz is second and ChemViz3D third.
How many of these have a free plan?
8 of the 25 on this page publish a free plan on their own pricing pages.
How is this list ranked?
Ranked on what each maker publishes, open and connectable first: a public API, open-source code, the depth of its documentation and a free tier to try it on. Model lists are sorted by the figure in their title, exactly as each provider publishes it. Paid placements never change a rank.