In chemistry, molecules with a "flat" geometry are often stable enough to support a wide range of reactions. But in the quantum world, that's not technically true.

image: Researchers from MIT and the MIT-Watson AI Lab have developed a unified framework that uses machine learning to simultaneously predict molecular properties and generate new molecules using only ...

Crystals reveal the hidden geometry of molecules to the naked eye. Scientists use crystals to figure out the atomic structure of new materials, but many materials can't be grown large enough. Now, a ...

A new framework uses machine learning to simultaneously predict molecular properties and generate new molecules using only a small amount of data for training ...