Showing 1 - 20 results of 13,198 for search '(((( algorithm python function ) OR ( algorithm 1 function ))) OR ( algorithm loss function ))', query time: 0.96s Refine Results
  1. 1

    Search Algorithms and Loss Functions for Bayesian Clustering by David B. Dahl (11761055)

    Published 2022
    “…<p>We propose a randomized greedy search algorithm to find a point estimate for a random partition based on a loss function and posterior Monte Carlo samples. …”
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    EFGs: A Complete and Accurate Implementation of Ertl’s Functional Group Detection Algorithm in RDKit by Gonzalo Colmenarejo (650249)

    Published 2025
    “…For a RDKit molecule, it provides (i) a PNG binary string with an image of the molecule with color-highlighted functional groups; (ii) a list of sets of atom indices (idx), each set corresponding to a functional group; (iii) a list of pseudo-SMILES canonicalized strings for the full functional groups; and (iv) a list of RDKit labeled mol objects, one for each full functional group. …”