16:06:29drmeisterkarlosz: I’m working on what I think that graph algorithm should look like.
16:07:48drmeisterI am imagining it where I start with two molecules and with each successive round groups of equivalent atoms in each graph collapse into nodes.
16:08:22drmeisterThese new “cluster” nodes have edges to atom nodes and other cluster nodes.
16:08:47drmeisterIt keeps going until all the equivalent atoms are collapsed.
16:09:14drmeisterThen I take the largest cluster nodes from each graph and what’s left are the differences.
16:10:18karloszyes, i think that would work, as long as you can keep track/identify which nodes are which in the end
16:38:14Bikedrmeister: when's jake supposed to be here? i haven't seen hide nor hare