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abstract: "Real-valued, fixed-size molecular fingerprints using Holographic Reduced Representations (HRR) with graph message passing. Encodes molecules into continuous vector representations that work as drop-in feature vectors for similarity search, clustering, or downstream ML tasks."
message: "If you use this software, please cite it using these metadata."
authors:
- given-names: Jonas
family-names: Teufel
affiliation: "Karlsruhe Institute of Technology (KIT)"
orcid: "https://orcid.org/0000-0002-9228-9395"
- given-names: Luca
family-names: Torresi
affiliation: "Karlsruhe Institute of Technology (KIT)"
orcid: "https://orcid.org/0000-0003-2205-6753"
- given-names: André
family-names: Eberhard
affiliation: "Karlsruhe Institute of Technology (KIT)"
- given-names: Arvand
family-names: Kaveh
affiliation: "Karlsruhe Institute of Technology (KIT)"