IBM Accelerated Material Discovery

IBM Molecule Generation Experience

You Create The World

Materials have power to change the world
Converting sunlight to electricity
Absorbing carbon dioxide in the atmosphere
Annihilating novel viruses
Today, AI is equipping with a power to create such ultimate materials
by learning material science
IBM Molecule Generation Experience is a virtual lab, where anyone can experience that power
You can design new materials with our state-of-the-art AI
Someday, a material you designed may save the world!
molecule
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You can design new materials
in our virtual lab
This web application provides minimum functions of our “molecular generative model”. Following web pages with simple graphical user interfaces, you can learn the concept of AI and experience material design.

You can learn more detailed information (the concept of material design, industrial use case, etc.) by clicking the link below.
3 steps to design new materials
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1. Select the data
Explore the built-in material dataset and select the subset of data you will use to train the AI.​
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2. Train the AI
Tune the parameters of the AI model to accurately predict chemical properties.​
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3. Design molecules
Specify your target chemical property and apply the trained model to generate new molecules.