Re: [Rdkit-discuss] RDKit Cookbook

2017-01-18 Thread Chris Swain
Hi, I just copied the first 4 rows of the warning, it is actually repeated many, many times. The change Greg suggests fixes things, thanks. Chris > On 19 Jan 2017, at 03:32, Greg Landrum wrote: > > Peter is correct, those are just warnings. But they are irritating

Re: [Rdkit-discuss] RDKit Cookbook

2017-01-18 Thread Greg Landrum
Peter is correct, those are just warnings. But they are irritating warnings. You should be able to get rid of them by changing the call to: fig, maxweight = SimilarityMaps.GetSimilarityMapForModel(m5, SimilarityMaps.GetMorganFingerprint, lambda x: getProba((x,), rf.predict_proba)) This passes