35 citations · 35 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2022★ 35 cited
Gibbs-Helmholtz Graph Neural Network: capturing the temperature dependency of activity coefficients at infinite dilution
Edgar Ivan Sanchez Medina, Steffen Linke, Martin Stoll +1
The accurate prediction of physicochemical properties of chemical compounds in mixtures (such as the activity coefficient at infinite dilution ) is essential for dev…
stat.ML2021
RaWaNet: Enriching Graph Neural Network Input via Random Walks on Graphs
Anahita Iravanizad, Edgar Ivan Sanchez Medina, Martin Stoll
In recent years, graph neural networks (GNNs) have gained increasing popularity and have shown very promising results for data that are represented by graphs. The majority of GNN a…