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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 ‘cheminformatics’

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