maximum-common-substructure

Here are 4 public repositories matching this topic...

asad / SMSD

SMSD Pro: substructure, MCS and fingerprint search for chemical graphs in C++, Java and Python.

python java chemistry cpp cheminformatics fingerprints rdkit mcs graph-matching smarts cdk substructure maximum-common-substructure stereochemistry smsd tautomers substructure-search

Updated Oct 23, 2026
C++

SalamanderXing / MCS

Star

A library for finding the maximum common induced subgraph between two graphs and compute their similarity (correlation).

javascript typescript graph-algorithms network-analysis maximum-common-subgraph graph-similarity-algorithms graph-similarity maximum-common-substructure graph-correlation networks-correlation

Updated Oct 21, 2019
JavaScript

freitasR / mcsview_sample_files

Star

Sample of output files produced by MCSview

computational-chemistry mcs maximum-common-substructure medicinal-chemistry highlight-substructures aligning-molecules

Updated Oct 28, 2024

pglourenco / MCS_detector

Star

A Julia tool for finding the Maximum Common Substructure (MCS) between small aliphatic molecules, developed for educational purposes without external chemoinformatics libraries.

chemistry graph graphs julia julia-package maximum-common-subgraph molecular-graph chemistry-molecule molecular-graphs maximum-common-substructure chemistry-education

Updated Sep 28, 2026
Julia

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