ecfp-4

Here are 2 public repositories matching this topic...

chadvik88 / JEEChemSage.AI

Project introduces an innovative AI-assisted chemistry learning platform designed to fundamentally shift the pedagogical approach to organic reaction mechanisms from rote memorization to deep, reasoning-based understanding

cheminformatics vr reactions three-js smiles smarts time-series-forecasting matching-algorithm ecfp-4 webx streamlit-webapp rdkit-chem

Updated Jan 12, 2026
Python

lhm30 / scikitlearn_clustermap_rdkit_bicluster_molecules

Star

hacked code to bicluster molecules using rdkit and scikitlearn

cheminformatics clustering scikit-learn similarity rdkit molecules smiles scikit ecfp4 biclustering molecular-similarity molecular-fingerprints circular-fingerprints ecfp-4

Updated Jan 18, 2018
Python

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