Fast, lightweight reaction classification with high granularity
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Updated
Jul 13, 2026 - Python
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reaction-smiles
Here are 3 public repositories matching this topic...
SMILES, SELFIES and Reaction SMILES augmentation using RDKit
cheminformatics rdkit chemoinformatics data-augmentation selfies smiles-strings reaction-smiles smiles-augmentation levenshtein-augmentation
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Updated
Jul 14, 2025 - Python
Воспроизведение AMNet и ансамблирование с LocalMapper для atom-to-atom mapping химических реакций
python machine-learning deep-learning cheminformatics pytorch rdkit graph-neural-networks amnet gnn reaction-smiles atom-mapping localmapper
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Updated
Jun 25, 2026 - Jupyter Notebook
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