Published September 15, 2026
| Version 0.2.1
Software
Open
Hyperdimensional Fingerprints (HDF): Hyperdimensional Molecular Fingerprints using Vector Symbolic Architectures
Authors/Creators
- 1. Karlsruhe Institute of Technology (KIT)
Description
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.
Files
the16thpythonist/hyper-fingerprints-v0.4.0.zip
Files
(8.9 MB)
| Name | Size | Download all |
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md5:faef8ac003b70abdc4e4fa19963742be
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Additional details
Related works
- Cites
- 10.1109/72.377968 (DOI)
- 10.1007/s12559-009-9009-8 (DOI)
- Is supplement to
- https://github.com/the16thpythonist/hyper-fingerprints (URL)
Software
- Repository URL
- https://github.com/the16thpythonist/hyper-fingerprints