Chem World: A Large-Scale Benchmark and Physics-Informed Framework for Trustworthy Chemical Property Prediction
Chemical property prediction plays a critical role in accelerating scientific discovery in chemistry, materials science, and drug development. However, existing benchmarks often suffer from limited task diversity, fragmented datasets, and inconsistent evaluation protocols, making it challenging to systematically assess the reliability and generalization of AI models. In this work, we introduce Chem World, a comprehensive benchmark for chemical property prediction that integrates 17 diverse chemical datasets with over 800,000 molecular samples, covering various properties including density, electrical conductivity, solubility, and other molecular characteristics. Chem World provides a unif...
| Authors | Tianyou Bai, Huan Wang, Mingchen Gao et al. |
|---|---|
| Primary category | cs.LG |
| Published | 30 July 2026 |
| Last updated at source | 30 July 2026 |
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