Megascale
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Related Articles from SNS
Robust Multi-Mutant Protein Stability Prediction from a Fine-Tuned Evolutionary Scale Model
Recently, high-throughput experimental techniques have propelled improvements in deep learning-based prediction of mutation effects on protein stability. However, leading stability predictors still struggle to predict the combined effect of multiple mutations and prefer mutations that negatively impact other properties, including expressibility. To mitigate these limitations, we apply Low-Rank Adaptation (LoRA) to specialize ESM3 for stability prediction by fine-tuning on the Megascale...
Constraint-Aware Optimization for Robust Protein Stability Prediction
Announce Type: new Abstract: Multimodal $\Delta\Delta G$ predictors integrating protein language models with inverse-folding representations achieve strong in-distribution accuracy on the Megascale dataset but exhibit limited robustness on out-of-distribution (OOD) proteins, persistent forward-reverse bias on paired-mutation benchmarks, and under-representation of rare stabilizing mutations. Existing approaches address these limitations primarily through additional architectural components,...