Edge-specific signal propagation on mature chromophore-region 3D mechanism graphs for fluorescent protein quantum-yield prediction

ArXi:2605.06644v1 Announce Type: new Fluorescent protein quantum yield (QY) is governed by the mature chromophore and its three-dimensional microenvironment rather than sequence identity alone. Protein language models and emission-band averages capture global trends, but do not model how local physical signals act on specific chromophore regions. We present a chromophore-centred mechanism graph algorithm for QY prediction.