20 citations · 38 across the 5 of their papers we have counts for
Showing cs.LGShow all
2 papers · 1 filter
cs.LG2023★ 13 cited
Chemically Transferable Generative Backmapping of Coarse-Grained Proteins
Soojung Yang, Rafael Gómez-Bombarelli
Coarse-graining (CG) accelerates molecular simulations of protein dynamics by simulating sets of atoms as singular beads. Backmapping is the opposite operation of bringing lost ato…
cs.LG2020★ 4 cited
A comprehensive study on the prediction reliability of graph neural networks for virtual screening
Soojung Yang, Kyung Hoon Lee, Seongok Ryu
Prediction models based on deep neural networks are increasingly gaining attention for fast and accurate virtual screening systems. For decision makings in virtual screening, resea…