Representing a molecule in a way that captures both its structure and function is central to tasks such as molecular property prediction, drug drug ...

Genesis’ proprietary foundation model – Pearl – outperforms frontier models, including AlphaFold 3, on key benchmarks that predict utility in real-world drug discovery Pearl’s performance improved ...

Discover how a new machine learning method can help scientists predict which MOF structures are good candidates for advanced ...

A new machine learning tool developed at Princeton will enable researchers to sift through trillions of design options to predict which metal organic framework will be useful in laboratories or ...

One of the shared, fundamental goals of most chemistry researchers is the need to predict a molecule's properties, such as its boiling or melting point. Once researchers can pinpoint that prediction, ...

Conducting polymers have emerged as a pivotal class of materials for advanced optoelectronic applications owing to their tunable molecular structure, ...

Soil liquefaction—the process where saturated soil loses its structure and transforms to a fluid-like state—can have devastating outcomes, as evidenced by the Great East Japan Earthquake in 2011.

With climate change posing an unprecedented global challenge, the demand for environmentally friendly solvents in green ...