Mapping the Competence Boundary of a Protein Property Model: A Case Study on Plastic-Degrading Enzymes using ProtTrust-XAI
Machine learning models for protein properties are usually reported by a single accuracy figure, which says how a model behaves on average but not whether to act on any one prediction, especially for a protein unlike anything in the training set. That gap is both a black box problem and an out-of-distribution problem,...