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3 stars written in HTML
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The official sources for the RDKit library

HTML 2,567 857 Updated Aug 16, 2024

Reaction fingerprints, atlases and classification. Code complementing our Nature Machine Intelligence publication on "Mapping the space of chemical reactions using attention-based neural networks" …

HTML 154 39 Updated Aug 12, 2021

Suite of tools that work on rpSBML format

HTML 7 2 Updated Mar 5, 2024