MEHC-Curation — a framework for molecular data curation
MEHC-Curation is a Python framework for molecular dataset curation. This work reflects our interest in the quality and reproducibility of the data used in molecular modelling.
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Published research, shared resources and updates from Hoang Nguyen Research Group.
A multimodal approach to molecular property prediction
Our published work explores a dual-attention multimodal framework for molecular property prediction. The study connects complementary molecular representations within a predictive modelling framework.
Read updateGraph transformers for blood–brain barrier prediction
Our published study examines a masked graph transformer for predicting blood–brain barrier permeability, connecting graph representation learning with a question in drug discovery.
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