Best Molecular Modeling Apps

0+ iOS apps curated and reviewed

4.3 avg rating
17 free apps
Updated June 2026

Every iPhone needs a few good molecular modeling apps. We benchmark 0+ of them on App Store rating, freshness, and pricing, then surface the standouts so you don't have to scroll the App Store yourself.

Compare top Molecular Modeling Apps (June 2026)

#AppPriceRatingAdsIn-App PurchasesUpdated
1Molecular Models - 3DMolecular Models - 3DFreeNoYesJul 2026
2Molecular Model SimulatorMolecular Model SimulatorFreeYesYesAug 2026
3MoleculesMoleculesFree3.6★ (166)NoNoAug 2026
4Molecular ConstructorMolecular ConstructorFree3.9★ (52)NoNoAug 2026
5WEHI AR MoleculesWEHI AR MoleculesFreeNoNoMay 2026
6Mobile Molecular DataSheetMobile Molecular DataSheetFree4.7★ (6)NoNoMay 2026
7MoleculARMoleculARFreeNoNoJul 2026
8K-Mol | Molecular ModelK-Mol | Molecular Model$0.99 was $1.99NoNoJul 2026

Top Picks for Molecular Modeling

Molecular Model Simulator#2

Molecular Model Simulator by 博 彭

Molecules 3D Simulation
Strong Contender
🔧 Utilities
0.0(0 ratings)
FreeAdsIn-App Purchases
Molecular Model Simulator screenshot 1
Molecular Model Simulator screenshot 2
Molecular Model Simulator screenshot 3
Molecular Model Simulator screenshot 4
Molecular Model Simulator screenshot 5

Visualize and interact with complex 3D molecular structures. Explore atomic arrangements, chemical bonds, and create custom compounds. Ideal for students, educators, and chemistry enthusiasts.

Molecules#3

Molecules by Sunset Lake Software

Worth Considering
📚 Education
3.6😐(166 ratings)
Free
Molecules screenshot 1
Molecules screenshot 2
Molecules screenshot 3
Molecules screenshot 4
Molecules screenshot 5

Explore and interact with 3D molecular models on your device. Rotate, zoom, and pan structures using intuitive touch gestures. Visualize molecules in different modes and load custom structures from various sources.

What We Love

  • 🚀 Fast and responsive
  • 👍 Useful for visualizing molecules
  • 👍 Great for teaching chemistry
  • 👍 Excellent for biochemistry students

Room to Improve

  • 🐛 Crashes when downloading new molecules
  • 🐛 Compatibility issues with newer iOS devices
  • 🐛 Limited functionality, missing key features

More Molecular Modeling apps to explore

4
Molecular Constructor
Molecular Constructor
Molecular Constructor
Build molecules in 3D
Free

Create and optimize 3D molecular models. This free software allows users to design molecules and refine their geometry simultaneously. A more advanced desktop version is also available.

Build molecules in 3DDesign molecular structuresOptimize geometry
📚 Education
(52)
free
5
WEHI AR Molecules
WEHI AR Molecules
WEHI AR Molecules
Molecular Augmented Reality
Free

Explore animated 3D molecules like ATP Synthase using augmented reality. Point your device's camera at a flat surface, select a molecule, and place it in your environment for interactive viewing.

Augmented reality molecule viewingAnimated 3D molecule simulationsATP Synthase and other molecules
📚 Education
(0)
free
6
Mobile Molecular DataSheet
Mobile Molecular DataSheet
Mobile Molecular DataSheet
by Molecular Materials Informatics, Inc.
Free

Easily draw and edit chemical structures on your mobile device. Organize molecules into datasheets, share them via email or iTunes, and integrate them into your existing workflows. Ideal for scientists and students needing a portable solution for molecular drawing.

Draw and edit chemical structuresTouchscreen-optimized sketcherOrganize molecules in datasheets
📊 Productivity
(6)
free
7
MoleculAR
MoleculAR
MoleculAR
Learn Molecular Geometry!
Free

Explore molecular geometry through augmented reality. Visualize complex chemical structures and understand difficult concepts without physical models. Request new molecules to be added to the learning experience.

Augmented reality visualizationVSEPR molecular geometry learningInteractive molecule exploration
📚 Education
(0)
free
8
K-Mol | Molecular Model
K-Mol | Molecular Model
K-Mol | Molecular Model
Create 3D Models Freely
$0.99
$1.99 | 50% OFF

Create and visualize 2D and 3D molecular models with intuitive drawing tools and AR capabilities. This app serves as a practical and cost-effective alternative to physical model kits for students.

2D structural formula drawing3D molecular model visualizationAugmented Reality (AR) viewing
📚 Education
(0)
paid
9
Mirage - molecular geometry
Mirage - molecular geometry
Mirage - molecular geometry
by chardine marc
Free

Explore molecular geometry in a science classroom setting. This app uses printable markers to visualize molecules, guiding users through identifying and explaining their geometric structures. It's designed for senior high school students and works offline once downloaded.

Molecular geometry visualizationPrintable marker set integrationGuided learning for molecule identification
📚 Education
(3)
free
10
3DMolecule
3DMolecule
3DMolecule
Interact with molecular models
Free

Explore and interact with 3D molecular models in an immersive chemistry learning experience. Scale, rotate, and move models while discovering properties and fun facts. Ideal for students and educators.

Interactive 3D molecule modelsScale, rotate, and move modelsLearn molecular properties
📚 Education
(2)
free
11
Molecular Formula Generator
Molecular Formula Generator
Molecular Formula Generator
by Kirill Blinov
Free

This app generates a comprehensive list of molecular formulas based on mass spectrometry data and elemental composition. Users can specify m/z values, mass accuracy, and potential elements to find matching formulas. The generated lists can be shared via email.

Generate molecular formulas by m/z valueSpecify mass accuracyDefine elemental composition
📚 Education
(3)
free
12
UofG Molecular Methods
UofG Molecular Methods
UofG Molecular Methods
by University of Glasgow
Free

This app supports students in molecular biology courses by providing information on techniques, workflow diagrams, quizzes, and a glossary. It also includes an interactive calculator and educational videos to enhance learning for life science degree programs.

Molecular technique informationWorkflow diagramsMultiple choice quizzes
📚 Education
(1)
free
13
Molecule Lab
Molecule Lab
Molecule Lab
Build $ Visualize 3D Molecules
Free

Create and view 3D molecular models with an intuitive editor. Supports various elements, bond types, and conformations, with undo/redo functionality. Share your creations easily via messaging and email.

Build molecules in 3DSupports oxygen, nitrogen, chlorine, carbon, hydrogenDouble and triple bond creation
📚 Education
(18)
free
14
3DMD AR
3DMD AR
3DMD AR
Molecular World in AR
Free

This app uses augmented reality to bring molecular models to life for educational purposes. Students can interact with physical models and engage in digital learning activities, fostering collaboration and deeper understanding of scientific concepts.

Augmented reality explorationInteractive digital learning activitiesEnhances physical model interaction
📚 Education
(19)
free
15
The Elements by Theodore Gray
The Elements by Theodore Gray
The Elements by Theodore Gray
Explore the Periodic Table
$9.99

Explore the building blocks of the universe with this interactive guide to the periodic table. Discover beautifully photographed elements, fascinating stories, and detailed 3D models of over 500 objects, all presented in multiple languages.

Living periodic table interfaceRotating 3D element samplesDetailed 3D object models
📚 Education
(122)
paid
16
WebMO Molecule Editor
WebMO Molecule Editor
WebMO Molecule Editor
Draw, Calculate, Visualize
Free

Create and explore 3D molecular structures, visualize chemical properties, and access extensive chemical databases. This tool is ideal for students and educators needing on-the-go access to molecular information and computational chemistry resources.

3D molecular editorStructure optimizationOrbital and symmetry visualization
📚 Education
(40)
free with in-app purchases
17
3DMD AR EDU
3DMD AR EDU
3DMD AR EDU
Molecular World in AR
Free
📚 Education
(0)
18
Virus Plague: Survival Wars
Virus Plague: Survival Wars
Virus Plague: Survival Wars
World infection - Ways to Cure
Free

Lead the global effort to find a cure for a deadly infection unleashed by Dr. Plague. Strategically manage resources, upgrade abilities, and make critical decisions on a realistic world map to contain the outbreak and save humanity.

Fight the infectionRealistic world map trackingStrategic gameplay and decision-making
🎬 Entertainment
(30)
free with in-app purchases
19
iSpartan
iSpartan
iSpartan
by Wavefunction, Inc.
$19.99

This app enables chemists to perform molecular modeling on mobile devices. It allows for the creation of molecules through 2D sketching, conversion to 3D structures, and calculation of properties. Access a database of 5,000 molecules for spectra and other atomic data.

2D sketching to 3D structure conversionConformational analysisAccess to 5,000 molecule database
📊 Productivity
(12)
paid
20
Molecular Biology Quiz
Molecular Biology Quiz
Molecular Biology Quiz
Molecular Biology Trivia Quiz
Free

Practice over 600 multiple-choice questions covering various molecular biology topics. This app serves as a self-assessment tool for students, offering revision notes and test questions for online learning and exam preparation.

600+ biology quiz MCQsSelf-assessment testsRevision notes
📚 Education
(3)
free with in-app purchases