conftrace_

molecular learning

5 papers

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Co-occurring keywords · papers mentioning both

graph neural network (2) protein learning (1) geometric graph (1) surface representation (1) geometric graph isomorphism (1) 3d molecular graph (1) quantum transformer (1) binding site identification (1) 3d geometric gnns (1) radius of influence (1)

Papers

Quantum Transformer for Molecular Learning: Multi-Configuration Ground-State Energy Prediction AAAI 2026 AtomSurf: Surface Representation for Learning on Protein Structures ICLR 2025 Knowledge-driven Scientific Large Language Models AAAI 2025 RISE: Radius of Influence based Subgraph Extraction for 3D Molecular Graph Explanation ICML 2025 Empowering Active Learning for 3D Molecular Graphs with Geometric Graph Isomorphism NeurIPS 2024