PI1M: A Benchmark Database for Polymer Informatics
A benchmark database containing approximately 1 million synthetic polymer structures generated using a generative model trained on ~12,000 polymers from PolyInfo. Designed to provide data resources for machine learning research in polymer informatics, covering density, glass transition temperature, melting temperature, and dielectric constants prediction tasks.
| Version | 2.0 |
|---|---|
| Creator | Ruimin Ma |
Keywords
polymer informaticssynthetic datamachine learninggenerative modelpolymer embeddingbenchmark databasep-SMILESpolymer properties
Citation
PI1M: A Benchmark Database for Polymer Informatics