Molecular models serve as indispensable tools in chemical education, enabling both students and researchers to visualise and comprehend the intricate three‐dimensional structures of molecules. Recent ...

A study from Rice University, published in PRX Quantum, has found that energy transfers more quickly between molecular sites ...

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 ...