Open Molecules 2025, an unprecedented dataset of molecular simulations, has been released to the scientific community, paving the way for the development of machine learning tools that can accurately ...

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 ...

Determining correlations between molecules at various levels is an important topic in molecular biology. Large language models have demonstrated a remarkable ability to capture correlations from large ...

Professor Jonathan Wittenberg used this model of sperm whale myoglobin structure as a teaching tool at the Albert Einstein College of Medicine at Yeshiva University in the Bronx. It was used beginning ...

A new machine learning model, NeCLAS, can determine whether and how a protein and nanoparticle will bind, which could revolutionize drug discovery and design processes. Researchers at the University ...

A molecular model shows two macrocycles interlocked like links in a chain, with additional atoms attached on the side of one ring. This conceptual version of the catenane made by Michael Kathan and ...