Molecular property prediction gets one shared testbed: 17 datasets and 800,000 records, with physics constraints cutting violations to 1.8%
Molecular property prediction has been scattered across separate datasets and evaluation protocols, making it hard to tell whether a molecular representation transfers across properties and chemical systems. Chem World consolidates 17 public datasets with more than 800,000 molecular and chemical-system records into 10 property tracks, paired with a physics-aware compositional modeling framework, PACM. Under the unified evaluation, MolFormer with PACM reaches the lowest macro normalized RMSE of 0.367, and physical-boundary violation falls from 9.7% for the baseline to 1.8%.