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Derive (sparse) fingerprints from embeddings #31

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kjappelbaum opened this issue Apr 17, 2024 · 0 comments
Open

Derive (sparse) fingerprints from embeddings #31

kjappelbaum opened this issue Apr 17, 2024 · 0 comments
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documentation Improvements or additions to documentation

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@kjappelbaum
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kjappelbaum commented Apr 17, 2024

motivation here https://txt.cohere.com/int8-binary-embeddings/

how do they compare to RDKit/Morgan?

how do they perform on compounds where fingerprints typically struggle (e.g. natural products, https://jcheminf.biomedcentral.com/articles/10.1186/s13321-024-00830-3)

@AdrianM0 AdrianM0 self-assigned this Apr 26, 2024
@AdrianM0 AdrianM0 added the documentation Improvements or additions to documentation label Apr 26, 2024
@AdrianM0 AdrianM0 changed the title derive (sparse) fingerrprints from embeddings Derive (sparse) fingerrprints from embeddings Apr 26, 2024
@AdrianM0 AdrianM0 changed the title Derive (sparse) fingerrprints from embeddings Derive (sparse) fingerprints from embeddings May 2, 2024
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