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Aarya Sharma

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#graph neural networks Open access Sep 2026

Graph Neural Network and Transformer Fusion for Molecular Property Prediction under a Strict Evaluation Protocol: Notation Leakage, Descriptor Baselines and Conformal Coverage

An evaluation protocol for multi-view molecular property prediction, and a fusion architecture measured under it. Eight MoleculeNet datasets, six scaffold splits (the DeepChem canonical split plus five seeded), paired comparisons with Holm correction, an across-dataset test and an equivalence test, split-conformal unce...

Aarya Sharma · 0 citations
#graph neural networks Open access Sep 2026

Graph Neural Network and Transformer Fusion for Molecular Property Prediction: What a Strict Evaluation Protocol Finds

An evaluation protocol for multi-view molecular property prediction, and a fusion architecture measured under it. Eight MoleculeNet datasets, six scaffold splits (the DeepChem canonical split plus five seeded), paired comparisons with Holm correction and an across-dataset test, split-conformal uncertainty (LAC, APS, RA...

Aarya Sharma · 0 citations
#graph neural networks Open access Sep 2026

Graph Neural Network and Transformer Fusion for Molecular Property Prediction: What a Strict Evaluation Protocol Finds

An evaluation protocol for multi-view molecular property prediction, and a fusion architecture measured under it. Eight MoleculeNet datasets, six scaffold splits (the DeepChem canonical split plus five seeded), paired comparisons with Holm correction and an across-dataset test, split-conformal uncertainty (LAC, APS, RA...

Aarya Sharma · 0 citations

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