PolyTAO
A Transformer-Assisted Oriented pretrained model for on-demand polymer generation (conditional generative LLM). Generates polymers with 15 predefined fundamental properties. Achieves ~99.3% chemical validity in top-1 generation.
Citation
Qiu, H.; Sun, Z.-Y. On-Demand Reverse Design of Polymers with PolyTAO. npj Computational Materials 10, 273 (2024). DOI:10.1038/s41524-024-01466-5