Fig. 10: Grid averaging and metal ion placement.
From: Metal3D: a general deep learning framework for accurate metal ion location prediction in proteins
A bounding box for the global grid is defined based on all predictions and residue probability maps are aggregated using KD-Tree search. Ions are placed after AgglomerativeClustering and taking the weighted average of all voxels in a cluster. Probability is the maximum probability of the cluster.
