open force field

An open and collaborative approach to better force fields


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).

Webinar by Chuan Tian: ff19SB - Amino acid specific protein backbone parameters trained against quantum mechanics energies in solution (Sep 12, 2019)

Posted on 3 Sep 2019 by Karmen Condic-Jurkic

Chuan Tian presents his work on the latest version of Amber force field (ff19SB) at 1 pm (ET) on Sep 12