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• Representing Polymers as Periodic Graphs with Learned Descriptors for Accurate Polymer Property Predictions
  2022 · 59 citations
• Machine learning-assisted discovery of many new solid Li-ion conducting materials
  2018 · 5 citations
• BOOM: Benchmarking Out-Of-distribution Molecular Property Predictions of Machine Learning Models
  2025 · 4 citations
• Discovery of stable surfaces with extreme work functions by high-throughput density functional theory and machine learning
  2020 · 2 citations
• The Open Polymers 2026 (OPoly26) Dataset and Evaluations
  2025 · 1 citations
• Active Learning Enables Extrapolation in Molecular Generative Models
  2025