3 citations · 3 across the 2 of their papers we have counts for
3 papers · 1 filter
Comparison of Atom Representations in Graph Neural Networks for Molecular Property Prediction
Agnieszka Pocha, Tomasz Danel, Łukasz Maziarka
Graph neural networks have recently become a standard method for analysing chemical compounds. In the field of molecular property prediction, the emphasis is now put on designing n…
Processing of incomplete images by (graph) convolutional neural networks
Tomasz Danel, Marek Śmieja, Łukasz Struski +2
We investigate the problem of training neural networks from incomplete images without replacing missing values. For this purpose, we first represent an image as a graph, in which m…
Molecule Attention Transformer
Łukasz Maziarka, Tomasz Danel, Sławomir Mucha +3
Designing a single neural network architecture that performs competitively across a range of molecule property prediction tasks remains largely an open challenge, and its solution…