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Research notebook / A. Flores
folio 02
the pages

Writing.

Build notes, working papers and the occasional essay, newest first.

Pages on one subject

filed under ‘molecular-embeddings’

all· cheminformatics· hackathon· llm· molecular embeddings· postmortem· psiformer· refugio· tmap

  1. 01
    an interactive paper

    What does Psiformer think is similar?

    I mapped the same 665,911 ChEMBL molecules with Psiformer and ECFP4. One space follows electronic structure; the other stays closer to molecular scaffolds. Neither wins everywhere.

    psiformer · tmap · cheminformatics · molecular embeddings