2 papers
physics.bio-ph2026
Knowledge Distillation of a Protein Language Model Yields a Foundational Implicit Solvent Model
Justin Airas, Bin Zhang
Implicit solvent models (ISMs) promise to deliver the accuracy of explicit solvent simulations at a fraction of the computational cost. However, despite decades of development, the…
physics.chem-ph2024
Scaling Graph Neural Networks to Large Proteins
Justin Airas, Bin Zhang
Graph neural network (GNN) architectures have emerged as promising force field models, exhibiting high accuracy in predicting complex energies and forces based on atomic identities…