activity
20212026
most citedPredicting Aqueous Solubility of Organic Molecules Using Deep Learning Models with Varied Molecular Representations

83 citations · 86 across the 7 of their papers we have counts for

collaborators
Showing cs.LGShow all

2 papers · 1 filter

cs.LG2024★ 1 cited

FragNet: A Graph Neural Network for Molecular Property Prediction with Four Levels of Interpretability

Gihan Panapitiya, Peiyuan Gao, C Mark Maupin +1

Molecular property prediction is essential in a variety of contemporary scientific fields, such as drug development and designing energy storage materials. Although there are many…

cs.LG2022

Dynamic Molecular Graph-based Implementation for Biophysical Properties Prediction

Carter Knutson, Gihan Panapitiya, Rohith Varikoti +1

Neural Networks (GNNs) have revolutionized the molecular discovery to understand patterns and identify unknown features that can aid in predicting biophysical properties and protei…