Re: [Rdkit-devel] bivariate_normal deprecation

Thanks Kiran! On Fri, May 4, 2018 at 5:08 PM Kiran Telukunta < kiran.teluku...@indiayouth.info> wrote: > Hello Greg, > > I have created the ticket . > > Thanks, > Kiran > > On 4 May 2018 at 09:13, Greg Landrum wrote: > >> Hi Kira, >> >> I would rather

Re: [Rdkit-devel] bivariate_normal deprecation

Hello Greg, I have created the ticket . Thanks, Kiran On 4 May 2018 at 09:13, Greg Landrum wrote: > Hi Kira, > > I would rather not introduce a dependency on scipy (which is rather large) > here. I think it probably makes more sense to just add an RD

Re: [Rdkit-devel] bivariate_normal deprecation

Hi Kira, I would rather not introduce a dependency on scipy (which is rather large) here. I think it probably makes more sense to just add an RDKit reimplementation of the function and use that. I need to check, but I would guess that the license on matplotlib would probably allow us to just grab

[Rdkit-devel] bivariate_normal deprecation

Hi All, What is the best way to rewrite in rdkit.Chem.Draw import SimilarityMaps def calcAtomGaussians(mol, a=0.03, step=0.02, weights=None): As mlab.bivariate_normal ​​ is deprecated. Should we use scipy multivarate