[Open Babel] tanimoto coefficient for obspectrophores

2019-05-23 Thread Bakary N'tji Diallo
Hello there, Hope you are doing very well. I would like to compute tanimoto similarity using obspectrophore fingerprint. I have found a formula on the net for the tanimoto similarity: def tanimoto(list1, list2): #list1 and list2 #spectrophore fingerprint intersection = [common_item for common_

Re: [Open Babel] tanimoto coefficient for obspectrophores

2019-05-23 Thread Moritz Beber
Just a comment that Python supports sets which make this more efficient and easier to read: a = set(list1)b = set(list2)intersection = a & bunion = a | b len(intersection) / float(union) On Tue, 2019-05-21 at 15:15 +0200, Bakary N'tji Diallo wrote: > Hello there, > > Hope you are doing very well.