This study is led by Dr. Nan Qiao (Laboratory of Health Intelligence, Huawei Cloud Computing Technologies), Dr. Hualiang Jiang (Shanghai Institute of Materia Medica, Chinese Academy of Sciences) and ...

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 ...

This image depicts the structure of the proposed organic molecule, alongside the energy level diagrams of two-photon absorption (left side) and thermally activated delayed fluorescence (right side).

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 ...

Researchers have made a meaningful advance in the simulation of molecular electron transfer -- a fundamental process underpinning countless physical, chemical and biological processes. The study ...