2 citations · 4 across the 4 of their papers we have counts for
4 papers
: A Parameter-Efficient Foundation Model for Molecular Learning
Kerstin Kläser, Błażej Banaszewski, Samuel Maddrell-Mander +5
In biological tasks, data is rarely plentiful as it is generated from hard-to-gather measurements. Therefore, pre-training foundation models on large quantities of available data a…
Generating QM1B with PySCF
Alexander Mathiasen, Hatem Helal, Kerstin Klaser +6
The emergence of foundation models in Computer Vision and Natural Language Processing have resulted in immense progress on downstream tasks. This progress was enabled by datasets w…
GPS++: Reviving the Art of Message Passing for Molecular Property Prediction
Dominic Masters, Josef Dean, Kerstin Klaser +9
We present GPS++, a hybrid Message Passing Neural Network / Graph Transformer model for molecular property prediction. Our model integrates a well-tuned local message passing compo…
Acquisition-invariant brain MRI segmentation with informative uncertainties
Pedro Borges, Richard Shaw, Thomas Varsavsky +5
Combining multi-site data can strengthen and uncover trends, but is a task that is marred by the influence of site-specific covariates that can bias the data and therefore any down…