Application of Transformers in Cheminformatics

KD Luong, A Singh - Journal of Chemical Information and …, 2024 - ACS Publications
By accelerating time-consuming processes with high efficiency, computing has become an
essential part of many modern chemical pipelines. Machine learning is a class of computing …

Exploring the Conformational Ensembles of Protein–Protein Complex with Transformer-Based Generative Model

J Wang, X Wang, Y Chu, C Li, X Li… - Journal of Chemical …, 2024 - ACS Publications
Protein–protein interactions are the basis of many protein functions, and understanding the
contact and conformational changes of protein–protein interactions is crucial for linking the …