Machine learning (ML) is increasingly being utilized to optimize the research paradigm and shorten the time from discovery to application of novel functional materials, pharmaceuticals, and fine ...

Neo-1 is the first model to unify de novo molecular generation and atomic-level structure prediction in a single model, by generating latent representations of whole molecules instead of predicting ...

The new method can determine crystal structures underlying experimental data thus far difficult to analyze. A joint research team led by Yuuki Kubo and Shiji Tsuneyuki of the University of Tokyo has ...

NEW ORLEANS, March 19, 2024 — At first glance, Rabih O. Al-Kaysi’s molecular motors look like the microscopic worms you’d see in a drop of pond water. But these wriggling ribbons are not alive; ...

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 ...