Why overlapping molecules would indicate memorizing or over fitting is beyond me. Imagine a mechanic designing linkages. They may collide, but if they could pas

Why overlapping molecules would indicate memorizing or over fitting is beyond me. Imagine a mechanic designing linkages. They may collide, but if they could pass through each other, they could work. Then they might reconfigure them. Similarly, overlapping molecules could be a step along the way to understanding if the algorithm is focused on binding structures rather than global physical structures.