Good catch I think it's a widespread problem throughout the code. This function will use the last entry it finds for the ligand in the experimental relative differences but the legacy_graph will use the first it finds. We need some function on the graph which can combine the estimates in a safe way that can be used in these other functions. I'll open an issue for this and do it in another PR.
Originally posted by @jthorton in #192 (comment)
Good catch I think it's a widespread problem throughout the code. This function will use the last entry it finds for the ligand in the experimental relative differences but the legacy_graph will use the first it finds. We need some function on the graph which can combine the estimates in a safe way that can be used in these other functions. I'll open an issue for this and do it in another PR.
Originally posted by @jthorton in #192 (comment)