PolyMon: A Unified Framework for Polymer Property Prediction
Accurate prediction of polymer properties is essential for materials design, but remains challenging due to data scarcity, diverse polymer representations, and the lack of systematic evaluation across modelling choices. Here, we present PolyMon, a unified and accessible framework that integrates multiple polymer representations, machine learning methods, and training strategies within a single, accessible platform. PolyMon supports various descriptors and graph construction strategies for polymer representations, and includes a wide range of models, from tabular models to graph neural networks, along with flexible training strategies including multi-fidelity learning, Δ-learning, active l...
| Authors | Gaopeng Ren, Yijie Yang, Jiajun Zhou et al. |
|---|---|
| Primary category | cond-mat.soft |
| Published | 2 March 2026 |
| Last updated at source | 2 March 2026 |
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