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• Artificial Intelligence for Science in Quantum, Atomistic, and Continuum Systems
  2023 · 54 citations
• Generating 3D Molecules for Target Protein Binding
  2022 · 45 citations
• Efficient Approximations of Complete Interatomic Potentials for Crystal Property Prediction
  2023 · 10 citations
• Towards Symmetry-Aware Generation of Periodic Materials
  2023 · 8 citations
• Molecule3D: A Benchmark for Predicting 3D Geometries from Molecular Graphs
  2021 · 6 citations
• Advanced Graph and Sequence Neural Networks for Molecular Property Prediction and Drug Discovery
  2020 · 4 citations
• Fast Quantum Property Prediction via Deeper 2D and 3D Graph Networks
  2021 · 4 citations
• QH9: A Quantum Hamiltonian Prediction Benchmark for QM9 Molecules
  2023 · 3 citations
• Geometry Informed Tokenization of Molecules for Language Model Generation
  2024 · 1 citations
• 3D Molecular Geometry Analysis with 2D Graphs
  2023
• Learning Disentangled Equivariant Representation for Explicitly Controllable 3D Molecule Generation
  2024