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bigsmiles

Here are 2 public repositories matching this topic...

CDAL-SChoi / BigSMILES_homopolymer

Automated BigSMILES conversion workflow and dataset for homopolymeric macromolecules

smiles bigsmiles

Updated Jun 9, 2024
Python

olsenlabmit / BigSMARTS

BigSMARTS Query Language and Polymer Substructure Search

search-engine materials random-graphs molecular-graphs subgraphs-isomorphism bigsmiles

Updated Feb 25, 2024

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