Best Molecular Modeling Apps

235+ iOS apps curated and reviewed

4.1 avg rating

18 free apps

Updated October 2026

Every iPhone needs a few good molecular modeling apps. We benchmark 235+ 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 (October 2026)

#	App	Price	Rating	Ads	In-App Purchases	Updated
1	Molecular Model Simulator	Free	—	Yes	Yes	Oct 2026
2	Molecular Models - 3D	Free	—	No	Yes	Sep 2026
3	Molecular Constructor	Free	3.9★ (52)	No	No	Oct 2026
4	Molecules	Free	3.6★ (166)	No	No	Aug 2026
5	3DMD AR EDU	Free	—	No	No	May 2026
6	MoleculAR	Free	5.0★ (1)	No	No	Sep 2026
7	3DMolecule	Free	5.0★ (2)	—	No	May 2026
8	K-Mol \| Molecular Model	$0.99	—	No	No	Jul 2026

Top Picks for Molecular Modeling

#1

Molecular Model Simulator by 博彭

Molecules 3D Simulation

Editor's Choice

0.0(0 ratings)

FreeAdsIn-App Purchases

Molecular Model Simulator screenshot 1

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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.

#2

Molecular Models - 3D by Krishna Raj Salim

Strong Contender

0.0(0 ratings)

FreeIn-App Purchases

Molecular Models - 3D screenshot 1

Molecular Models - 3D screenshot 2

Molecular Models - 3D screenshot 3

Molecular Models - 3D screenshot 4

Molecular Models - 3D screenshot 5

#3

Molecular Constructor by Alexander Teplukhin

Build molecules in 3D

Worth Considering

3.9(52 ratings)

Free

Molecular Constructor screenshot 1

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Molecular Constructor screenshot 3

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.

More Molecular Modeling apps to explore

by Sunset Lake Software

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.

3D molecule renderingFinger-based manipulation (rotate, zoom, pan)Ball-and-stick visualization

Molecular World in AR

Learn Molecular Geometry!

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

Interact with molecular models

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

K-Mol | Molecular Model

K-Mol | Molecular Model

K-Mol | Molecular Model

Create 3D Models Freely

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

Mirage - molecular geometry

Mirage - molecular geometry

Mirage - molecular geometry

by chardine marc

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

WEHI AR Molecules

WEHI AR Molecules

WEHI AR Molecules

Molecular Augmented Reality

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

Molecular Mass Calculator Pro

Molecular Mass Calculator Pro

Molecular Mass Calculator Pro

molecular mass & mass percent

Calculate molecular mass, mass percent, and element information for any chemical compound. This tool simplifies chemistry calculations by automatically identifying elements, their charges, and molar masses. It's designed for students and professionals needing quick, accurate chemical data.

Molecular mass calculationMass percent calculationElement information

Magpie - Molecular Analysis

Magpie - Molecular Analysis

Magpie - Molecular Analysis

AUBMC Molecular Lab

AUBMC Molecular Lab

AUBMC Molecular Lab

AUBMC Molecular Lab

Molecular Formula Generator

Molecular Formula Generator

Molecular Formula Generator

by Kirill Blinov

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

Genetics and Molecular Biology

Genetics and Molecular Biology

Genetics and Molecular Biology

by www.ajaxmediatech.com

UofG Molecular Methods

UofG Molecular Methods

UofG Molecular Methods

by University of Glasgow

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

Molecular Biology Quiz

Molecular Biology Quiz

Molecular Biology Quiz

Molecular Biology Trivia Quiz

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

free with in-app purchases

Molecular World in AR

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

View molecules in AR

Biochemical & Molecular Eng.

Biochemical & Molecular Eng.

Biochemical & Molecular Eng.

by Engineering Conferences International, Inc.

FAQ about Molecular Modeling

Are there free molecular modeling apps for iPhone?

Yes — 18 of the top molecular modeling apps we rank are free to download, including Molecular Model Simulator and Molecular Models - 3D.

Does Molecular Model Simulator have ads or in-app purchases?

Molecular Model Simulator shows ads and offers in-app purchases, according to its App Store listing as of October 2026.

How many molecular modeling apps are on the App Store?

We track 235+ molecular modeling apps on the iOS App Store as of October 2026, ranked by rating, recency, and analysis of real user reviews.