A team from Jiuhua Laboratory in China has developed a novel "Electronic Structure-Infused Network (ESIN)" model that accurately predicts the photoluminescence quantum yield (PLQY) of organic ...

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 ...

We are now in a position to study the tertiary structure of a single myoglobin molecule separated from its neighbours. Fig. 2 illustrates various views of a three-dimensional model constructed to ...