conftrace_

geometric graph neural network

5 papers

Explore in graph

Co-occurring keywords

graph neural network (3962) molecular property prediction (84) molecular graph (58) graph isomorphism (47) diversity sampling (20) structure prediction (16) property prediction (38) protein language model (40) antibody design (15) protein structure (59)

Papers

Empowering Active Learning for 3D Molecular Graphs with Geometric Graph Isomorphism NIPS 2024
HAGO-Net: Hierarchical Geometric Message Passing for Molecular Representation Learning AAAI 2024
Neural P$^3$M: A Long-Range Interaction Modeling Enhancer for Geometric GNNs NIPS 2024
On the Expressive Power of Geometric Graph Neural Networks ICML 2023
A Hierarchical Training Paradigm for Antibody Structure-sequence Co-design NIPS 2023