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smiles-strings

Here are 2 public repositories matching this topic...

davidjtoomer / RetroCHEM

A command-line tool for simple, single-step retrosynthetic reaction prediction using graph partitioning.

chemistry graph-partitioning organic-chemistry smiles-strings retrosynthesis

Updated May 28, 2020
C++

Mblakey / wiswesser

Wiswesser Line Notation Project

chemistry cheminformatics notation smiles smiles-strings cheminformatics-and-compchem

Updated Oct 16, 2024
C++

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