Published March 4, 2026
| Version 1.0
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Graphormer-RT Fine-tuned Weights (HILIC)
Authors/Creators
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1.
University of Oregon
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2.
Pacific Northwest National Laboratory
Description
These weights are for Graphormer-RT and were fine-tuned from the original weights for improved HILIC performance.
The original model was developed by Cailum M. K. Stienstra, Emir Nazdrajić, and W. Scott Hopkins, as described in: “From Reverse Phase Chromatography to HILIC: Graph Transformers Power Method-Independent Machine Learning of Retention Times,” published in Analytical Chemistry.
Code for training and inference using these weights is available in our repository: deep_metab.
Files
Files
(213.6 MB)
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