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• A Deep Generative Model for Fragment-Based Molecule Generation
  2020 · 35 citations
• Neural Autoencoder-Based Structure-Preserving Model Order Reduction and Control Design for High-Dimensional Physical Systems
  2023 · 14 citations
• MEG: Generating Molecular Counterfactual Explanations for Deep Graph Networks
  2021 · 3 citations
• Towards Efficient Molecular Property Optimization with Graph Energy Based Models
  2025 · 1 citations
• Can You Hear Me Now? A Benchmark for Long-Range Graph Propagation
  2025
• Learning and Transferring Physical Models through Derivatives
  2025
• Accelerating the identification of informative reduced representations of proteins with deep learning for graphs
  2020
• Classifier-free graph diffusion for molecular property targeting
  2023