187 citations · 287 across the 8 of their papers we have counts for
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q-bio.BM2023★ 1 cited
Atom-by-atom protein generation and beyond with language models
Daniel Flam-Shepherd, Kevin Zhu, Alán Aspuru-Guzik
Protein language models learn powerful representations directly from sequences of amino acids. However, they are constrained to generate proteins with only the set of amino acids r…
cs.LG2023★ 22 cited
Language models can generate molecules, materials, and protein binding sites directly in three dimensions as XYZ, CIF, and PDB files
Daniel Flam-Shepherd, Alán Aspuru-Guzik
Language models are powerful tools for molecular design. Currently, the dominant paradigm is to parse molecular graphs into linear string representations that can easily be trained…