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#graph neural networks

2 articles tagged with #graph neural networks.

The Historical Accident That Split Drug Design in Two (And the Contrastive Model That Reunites It)

Structure-based and ligand-based drug design evolved as separate fields solving the same problem. ConGLUDe, a contrastive geometric learning model, unifies both approaches and outperforms specialist methods on realistic benchmarks without requiring pre-defined binding pockets.

#drug-discovery #contrastive-learning #computational-biologyJan 30, 2026
12 min read
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When the Algorithm Can't Explain Itself: ML Interpretability in Precision Oncology

Machine learning models now outperform FDA-approved biomarkers in predicting treatment response, but the best-performing models often resist explanation. Here's how precision oncology is navigating the trade-off between performance and interpretability.

#machine-learning #precision-oncology #explainabilityJan 3, 2026
19 min read
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