Papers | Joshua Berkowitz

2 Articles

graph neural networks ×

Rapid and Automated Alloy Design with Graph Neural Network-Powered Large Language Model-Driven Multi-Agent AI

The search for new materials with enhanced mechanical properties has previously been constrained by the sheer complexity of the compositional design space. Multi-principal element alloys offer excepti...

alloy design artificial intelligence computational materials dislocation dynamics graph neural networks machine learning materials science multi-agent systems

Nov 10, 2025

0 1375

GraphBAN Marries Graphs and LLMs to Predict New Compound-Protein Interactions

Understanding how small molecules interact with proteins is a cornerstone of modern drug discovery. These compound–protein interactions (CPIs) determine whether a candidate molecule can modulate a bio...

BAN CDAN compound-protein interactions domain adaptation drug discovery graph neural networks knowledge distillation

Nov 2, 2025

0 1342

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