Jointly training seemingly unrelated tasks, such as Molcap and the Quantum Mechanics Property Prediction Task, can also lead to performance improvements for both. DATA_BASE_DIR str Base directory of ...

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 ...

Abstract: Molecular communication (MC) research is increasingly focused on applications within the human body, such as health monitoring and drug delivery, which require testing in realistic and ...

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 ...

Juan Casado Cordón, Professor of Physical Chemistry at the University of Malaga, considers graphene—an infinite layer of carbon atoms—as one of the greatest discoveries of the last 20 years due to its ...

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 ...

Organic light-emitting diodes (OLEDs) have become a cornerstone in display and lighting technologies, driving the demand for efficient organic thermally activated delayed fluorescence (TADF) materials ...

Molecular lesion data in LR-MDS prognostic models reduce the significance of traditional parameters like bone marrow blast percentage. Molecular data altered risk stratification for 30% of patients, ...

Molecular property prediction is crucial for drug discovery. Over the years, deep learning models have been widely used for these tasks; however, large datasets are often needed to achieve strong ...