Author

Marco Vieto Vega

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Preprint Aug 2026

Geometry-Informed Parameter-Efficient Fine-Tuning of Pre-trained Molecular GNNs for Blood-Brain Barrier Permeability Prediction

BBBP-GeoPEFT is proposed, a geometry-informed PEFT framework for pre-trained molecular GNNs that preserves pre-trained knowledge while incorporating permeability-relevant geometric information with a small trainable-parameter budget.

Marco Vieto Vega, Long D. Nguyen, Binh P. Nguyen · 0 citations