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benchmark datasets 1chemical property prediction 1computational chemistry 1neural networks 1physics-informed learning 1

From the 1 of 1 linked paper with an AI index.

collaborators

1 paper

cs.LG2026

Chem World: A Large-Scale Benchmark and Physics-Informed Framework for Trustworthy Chemical Property Prediction

Tianyou Bai, Huan Wang, Mingchen Gao +4

The paper introduces Chem World, a large benchmark of 17 chemical datasets for predicting various molecular properties, and proposes Mixture-PINN, a physics-informed neural network…