PairIT: Autoregressive Transformers for Low-Data Molecule Optimization
arXiv:2610.19123v1 Announce Type: new Abstract: Generating novel molecules with desired properties is a central challenge in drug discovery. Although foundational work focused on de novo generation, practical use cases require a more complex setting: conditioning on an initial seed molecule, optimi…
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- 2026-10-15 04:00 · arXiv cs.LG
PairIT: Autoregressive Transformers for Low-Data Molecule Optimization