I think the MaxMinPicker can do what you want.
A blog on using this can be found here: https://rdkit.blogspot.co.uk/2017/11/revisting-maxminpicker.html



On 03/01/18 19:53, Sundar wrote:
Hi RDKit users,

Is it possible to pick a subset of (diverse) compounds that have less than a particular Tanimoto coefficient (for eg. 0.7) from a larger set using RDKit. The current version of the Diverse Picker picks a diverse set based on a "number of compounds" instead of Tanimoto score.

Thanks
Jubilant


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