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rxn4chemistry
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rxnfp
Reaction fingerprints, atlases and classification. Code complementing our Nature Machine Intelligence publication on "Mapping the space of chemical reactions using attention-based neural networks" (http://rdcu.be/cenmd).
https://rxn4chemistry.github.io/rxnfp/
MIT License
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bump gems / update citation and links
#6
Closed
pschwllr
closed
3 years ago