Self-consistently simulating small molecules, proteins and RNAs with the "espaloma-0.3" force field

Posted on 12 Feb 2024 by Yuanqing Wang

Webinar by Yuanqing Wang: Graph Nets for partial charge prediction (Oct 14, 2019)

Posted on 4 Oct 2019 by Karmen Condic-Jurkic

Yuanqing Wang (MSKCC) will talk about his ongoing work on applying machine learning techniques for fast prediction of atomic charges on Oct 14 at 1 pm (ET).