/tools/Chem-Faiss

Chem-Faiss

ritabratamaiti/Chem-Faiss

24 stars3 forksJupyter NotebookAdded February 4, 2026
summary

Chem-Faiss is a tool that utilizes vector similarity search from Faiss combined with chemical fingerprinting to create a scalable architecture for searching compounds. It is particularly useful for drug design and finding structural matches within large datasets.

description

This projects utilises vector similarity search from Faiss, in conjunction with chemical fingerprinting to build a scalabale similarity search architecture for compounds/molecules.

topics

deep-learningneural-networkmachine-learningcheminformaticsbioinformaticscovid-19faissfacebookrdkit

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