The Best Chemistry Simulation Software in 2026
We researched chemistry simulation software through official websites, including pricing pages, plan tables, and product documentation. Products are ranked on their core job, value for money, and verified features for exploring molecules, reactions, equations, virtual experiments, and laboratory procedures in chemistry education.
Our top picks
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Top ranked
McGraw Hill Virtual Labs#1 of 339.2/10A web-based virtual lab suite with strong McGraw Hill and LMS delivery.
-
Runner-up
Virtual ChemLab#2 of 339.0/10A broad desktop virtual lab for chemistry investigations, assignments, and theory-based practice.
Pricing on request
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Top-ranked free plan
PhET Interactive Simulations#3 of 338.9/10A free, broad simulation library for classroom science and mathematics instruction.
Free plan · paid from $0.99
Advertiser disclosure: iTechGuides is reader-supported. Vendors can pay for top positions in our rankings and for a place on other products' pages, and we may earn a commission when you click some links. Bought places stand at the number bought; this page and our disclosure say so. Paying vendors may get a fuller, more detailed review from our editors, and that review can change their score. How we rank.
The full ranking 33 tools, best first
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Best forInstitutional labs with McGraw Hill workflows
A web-based virtual lab suite with strong McGraw Hill and LMS delivery.
9.2/10★★★★★Visit McGraw Hill -
Best forBroad simulated chemistry laboratory investigations
A broad desktop virtual lab for chemistry investigations, assignments, and theory-based practice.
- Virtual labs
- Reaction simulation
9.0/10★★★★☆Visit Savvas -
Best forFree, mature general science simulations
A free, broad simulation library for classroom science and mathematics instruction.
Free plan · paid from $0.99 Our PhET Interactive Simulations verdict → Visit PhETFor vendors Sponsor this spot · #3 · $79/mo →8.9/10★★★★☆Visit PhET -
Best forInstitutions needing a large lab library
A broad virtual lab library with guided learning, assessment, and LMS integrations.
8.7/10★★★★☆Visit Labster -
Best forOpen-source simulation authoring and assessment
A free, open-source platform for building, assigning, and assessing interactive science activities.
8.5/10★★★★☆Visit site -
Best forLinux users needing periodic-table and equation tools
A free Linux chemistry reference with equation tools, but not a virtual-lab simulator.
- Equation tools
- Molecular modeling
7.9/10★★★★☆Visit Kalzium -
Best forLMS-connected multi-subject virtual labs
A browser-based virtual lab with guided and open-ended activities, grading, and LMS integration.
7.9/10★★★★☆Visit Beyond Labz -
Best forBroad browser-based chemistry simulation
A broad browser toolkit for chemistry instruction, virtual labs, and assignments.
- Equation tools
- Virtual labs
- Molecular modeling
7.8/10★★★★☆Visit Atomency -
Best forAffordable 3D labs with LMS and AI support
PraxiLabs brings guided 3D science experiments, assessment, analytics, and LMS integration online.
7.7/10★★★★☆Visit PraxiLabs -
Best forFree desktop chemistry teaching labs
A free desktop chemistry lab with simulations, modeling, assessments, and teacher tools.
- Equation tools
- Virtual labs
- Molecular modeling
7.6/10★★★★☆Visit Polychem -
Best forTraditional paid chemistry laboratory software
A traditional paid virtual lab with broad general-chemistry tools across three platforms.
- Equation tools
- Virtual labs
- Molecular modeling
7.4/10★★★★☆Visit ChemLab -
Best forWindows chemistry experiments and electrochemistry
A focused Windows chemistry lab for experiments, reaction modeling and electrochemistry.
- Virtual labs
- Reaction simulation
7.3/10★★★★☆Try Yenka Chemistry -
Best forVR chemistry lessons with teacher management
A classroom-focused VR chemistry suite with teacher tools and simulated experiments.
- Equation tools
- Virtual labs
- Molecular modeling
7.2/10★★★★☆Visit Futuclass -
Best forFree aqueous chemistry labs with assessment
A mature, free virtual lab for guided chemistry practice and assessment.
7.1/10★★★★☆Visit ChemCollective -
Best forOpen-source chemistry learning simulations
A free, open-source collection covering chemistry concepts from bonding to virtual labs.
- Equation tools
- Virtual labs
- Molecular modeling
7.0/10★★★★☆Visit site -
Best forResearchers needing advanced quantum chemistry calculations
Advanced desktop quantum-chemistry workflows for molecular and materials researchers.
- Molecular modeling
- Reaction simulation
6.9/10★★★☆☆Visit SCM -
Best forResearchers doing computational phase-equilibrium
A focused tool for computational phase-equilibrium, with Python workflows and a desktop GUI.
6.8/10★★★☆☆Visit Equilipy -
Best forAdvanced molecular dynamics coursework
A feature-rich desktop environment for advanced molecular dynamics coursework.
- Virtual labs
- Molecular modeling
- Reaction simulation
6.7/10★★★☆☆Visit ODYSSEY -
Best forMultilingual institutional VR laboratory access
A multilingual web laboratory combining VR, guided experiments, and broad STEM coverage.
- Virtual labs
6.6/10★★★☆☆Visit STEMLAB -
Best forVR chemistry training with custom tasks
A focused VR chemistry lab with LMS tools, custom content, and process calculations.
- Virtual labs
- Reaction simulation
6.5/10★★★☆☆Visit Science Studio -
Best forLarge-scale VR chemistry practical training
A broad VR chemistry lab for institutions prepared for a high per-device price.
- Virtual labs
- Reaction simulation
6.4/10★★★☆☆Try VR Chemistry Lab -
Best forFree repository of guided virtual experiments
A free, guided virtual-lab repository with experiments, learning resources, and assessment tools.
6.3/10★★★☆☆Visit Virtual Labs -
Best forStudents needing documented virtual lab reports
A focused web lab platform for students who need structured experiments and records.
- Equation tools
- Virtual labs
- Molecular modeling
6.2/10★★★☆☆Try neoCatalyst Labs -
Best forFree 3D molecular and reaction visualization
A free browser resource for exploring molecular structures, mechanisms, and chemistry concepts visually.
- Virtual labs
- Molecular modeling
- Reaction simulation
6.1/10★★★☆☆Visit ChemTube3D -
Best forMolecular drawing and structure visualization
A capable web toolkit for drawing and viewing molecules, but not a virtual lab or reaction simulator.
- Molecular modeling
6.0/10★★★☆☆Visit MolView -
Best forFree chemical animation and diagram creation
A free web tool for creating, editing, and exporting chemical animations and diagrams.
- Equation tools
- Molecular modeling
- Reaction simulation
6.0/10★★★☆☆Visit ChemViz3D -
Best forFree Windows molecular modeling
A focused, free Windows tool for 3D molecules, reaction animations, and MM2 minimization.
- Molecular modeling
6.0/10★★★☆☆Visit MoluCAD -
Best forMobile AR molecular visualization
A free mobile AR tool for visual chemistry learning, not a full simulation suite.
- Molecular modeling
- Reaction simulation
6.0/10★★★☆☆Visit MoleculAR -
Best forFree AI-guided chemistry practice
A free web-based chemistry lab with AI tutoring, practice, and classroom tools.
- Virtual labs
- Reaction simulation
6.0/10★★★☆☆Visit MyChemLab AI -
Best forFree molecular-shape and equilibrium activities
A free chemistry learning system for molecular structure, bonding, and equilibrium activities.
- Molecular modeling
- Reaction simulation
6.0/10★★★☆☆Visit Collisions -
Best forJulia users performing NMR inversion calculations
A focused Julia package for NMR inversion calculations, not a general chemistry simulator.
6.0/10★★★☆☆Try NMRInversions.jl -
Best forResearchers modeling stochastic biochemical systems
An open-source Python package for simulating biochemical networks and estimating parameters.
- Reaction simulation
6.0/10★★★☆☆Visit BioSCRAPE -
Best forBasic desktop video editing and processing
Avidemux is a capable free video tool, but not chemistry simulation software.
6.0/10★★★☆☆Visit Avidemux
No tools match those filters.
Compare at a glance
| # | Tool | Free plan | Paid from | Virtual labs | Reaction simulation | Score |
|---|---|---|---|---|---|---|
| 1 | McGraw Hill Virtual Labs | 9.2 | ||||
| 2 | Virtual ChemLab | Yes | Yes | 9.0 | ||
| 3 | PhET Interactive Simulations | Yes | 8.9 | |||
| 4 | Labster | No | 8.7 | |||
| 5 | Molecular Workbench | Yes | Free | 8.5 | ||
| 6 | Kalzium | Yes | Free | No | 7.9 | |
| 7 | Beyond Labz | Yes | $31.95/seat one-time | 7.9 | ||
| 8 | Atomency | Yes | Yes | Yes | 7.8 | |
| 9 | PraxiLabs | No | $44.99/user/yr | 7.7 | ||
| 10 | Polychem | Yes | Free | Yes | Yes | 7.6 |
| 11 | ChemLab | No | $33.99/user one-time | Yes | Yes | 7.4 |
| 12 | Yenka Chemistry | Yes | Yes | 7.3 | ||
| 13 | Futuclass Chemistry VR | Yes | Yes | 7.2 | ||
| 14 | ChemCollective Virtual Lab | Yes | Free | 7.1 | ||
| 15 | Interactive Chemistry | Yes | Free | Yes | Yes | 7.0 |
| 16 | Amsterdam Density Functional | No | Yes | 6.9 | ||
| 17 | Equilipy | Yes | Free | 6.8 | ||
| 18 | ODYSSEY Student Edition | No | Yes | Yes | 6.7 | |
| 19 | STEMLAB | Yes | 6.6 | |||
| 20 | Vic’s Science Studio | Yes | Yes | Yes | 6.5 | |
| 21 | VR Chemistry Lab | Yes | Yes | Yes | 6.4 | |
| 22 | Virtual Labs | Yes | Free | 6.3 | ||
| 23 | neoCatalyst Labs | No | $25 one-time | Yes | Yes | 6.2 |
| 24 | ChemTube3D | Yes | Free | Yes | Yes | 6.1 |
| 25 | MolView | Yes | $9/user/yr | 6.0 | ||
| 26 | ChemViz3D | Yes | Free | No | Yes | 6.0 |
| 27 | MoluCAD | Yes | Free | 6.0 | ||
| 28 | MoleculAR | Yes | Free | Yes | 6.0 | |
| 29 | MyChemLab AI | Yes | Free | Yes | Yes | 6.0 |
| 30 | Collisions Higher Education | Yes | Free | Yes | 6.0 | |
| 31 | NMRInversions.jl | Yes | Free | 6.0 | ||
| 32 | BioSCRAPE | Yes | Free | No | Yes | 6.0 |
| 33 | Avidemux | Yes | Free | 6.0 |
Head-to-head All 25 comparisons →
- McGraw Hill Virtual Labs vs Virtual ChemLab
- McGraw Hill Virtual Labs vs PhET Interactive Simulations
- McGraw Hill Virtual Labs vs Labster
- McGraw Hill Virtual Labs vs Molecular Workbench
- McGraw Hill Virtual Labs vs Kalzium
- McGraw Hill Virtual Labs vs Beyond Labz
- McGraw Hill Virtual Labs vs Atomency
- Virtual ChemLab vs PhET Interactive Simulations
- Virtual ChemLab vs Labster
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How we rank chemistry simulation software
Every tool on this page was researched by iTechGuides Editors from its official website — pricing pages, plan tables and product documentation. We rank on how well each one does this category's core job, what the free or entry plan includes, and where it falls short. Where we have enough verified facts, the score out of 10 is a rubric — job fit, value and how much we could verify — shown with its breakdown on every tool's page; a tool we have not verified enough to score yet shows its rank without a number. Scores are re-checked when a product changes its plans. Read the full editorial policy, or submit a tool we missed.
Reviewed by iTechGuides Editors · Editorial team · Updated Oct 2026
Last updated · How we research and update