It does not, personally today I would use the IBM AI based one. On Thu, 20 Oct 2022 at 07:05, Uli Fechner <u...@pending.ai> wrote:
> Hi, > > I vaguely remember that there is/was code in the CDK for atom-to-atom > mapping of reactions (wasn't that RDTool?). However, I cannot find that now. > > RDTool by Asad uses CDK. But its maintenance seems to be lacking a bit > (last pre-release based on CDK 2.5 is back from Mar 2021). > > Does CDK provide atom-to-atom mapping for reactions at the moment? Are > there any open-source tools out there other than RDTool that offer that > functionality and use CDK as a library? > > Any help is appreciated. > Uli > > _______________________________________________ > Cdk-user mailing list > Cdk-user@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/cdk-user >
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