UniPolymer: A Unified Framework for Property Prediction, Structure Recommendation, and Evaluation in Polyimide Design
Designing polyimide structures with specific glass transition temperatures (Tg) is highly challenging. Existing methods primarily focus on target-conditioned generation, lacking an assessment of the consistency between the generated structure and the target properties. This leads to low-quality candidates deviating from the design objective entering subsequent processes, increasing invalid experiments and prolonging the development cycle. To address this issue, we propose UniPolymer, a unified framework for property prediction, target-conditioned generation, candidate evaluation, and structure recommendation in polyimide design and a dataset containing 10066 deduplicated polyimide repeati...
| Authors | Junquan Hu, Zhihui Wang, Peng Xu et al. |
|---|---|
| Primary category | cs.LG |
| Published | 31 July 2026 |
| Last updated at source | 31 July 2026 |
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