I wrote a GPU-less billion-vector DB for molecule search (live demo)
Show HN: I wrote a GPU-less billion-vector DB for molecule search (live demo)
I wrote a GPU-less billion-vector DB for molecule search (live demo) is a company in show hn launch.
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Input a SMILES string (or pick one molecule from the examples) and it returns up to 100k molecules closest in 3-D shape or electrostatic similarity – from 10+ billion scale databases — typically in under 5-10 s.*Why it might interest HN** Entire index lives on disk — no GPU at query-time, less than ~10 GB RAM total. * Built from scratch (no FAISS index / Milvus / Pinecone). * Index-build cost: one Nvidia T4 (~ 300USD) for one 5.5B database. * Open to anyone, predict ADMET, export results as CSV/SDF.Full write-up & benchmarks (DUD-E, LIT-PCBA, SVS) in the pre-print: https://chemrxiv.org/engage/chemrxiv/article-details/6725091...
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Website: cheese-new.deepmedchem.com
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