most citedLanguage models can generate molecules, materials, and protein binding sites directly in three dimensions as XYZ, CIF, and PDB files

22 citations · 23 across the 2 of their papers we have counts for

collaborators

2 papers

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…