Benchmarking Positional Encodings for GNNs and Graph Transformers
Paper • 2411.12732 • Published • 1
Jiaqing Xie
jiaxie
·
AI & ML interests
Drug Discovery, Protein, AI4Bio, AI4Healthcare
Recent Activity
liked a dataset 4 days ago
MatSciBench/MatSciBench authored a paper 17 days ago
Benchmarking Positional Encodings for GNNs and Graph Transformers authored a paper 17 days ago
DeepResearch Arena: The First Exam of LLMs' Research Abilities via
Seminar-Grounded TasksOrganizations
authored 7
papers 17 days ago
DeepResearch Arena: The First Exam of LLMs' Research Abilities via Seminar-Grounded Tasks
Paper • 2509.01396 • Published • 58
MolSpectLLM: A Molecular Foundation Model Bridging Spectroscopy, Molecule Elucidation, and 3D Structure Generation
Paper • 2509.21861 • Published • 2
QCBench: Evaluating Large Language Models on Domain-Specific Quantitative Chemistry
Paper • 2508.01670 • Published
MolAct: An Agentic RL Framework for Molecular Editing and Property Optimization
Paper • 2512.20135 • Published
NMRGym: A Comprehensive Benchmark for Nuclear Magnetic Resonance Based Molecular Structure Elucidation
Paper • 2601.15763 • Published
PolyReal: A Benchmark for Real-World Polymer Science Workflows
Paper • 2604.02934 • Published
authored a
paper about 1 year ago