SpectrumWorld/opendatalab-experimental-nmr-peaks
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Jiaqing Xie
jiaxie
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AI & ML interests
Drug Discovery, Protein, AI4Bio, AI4Healthcare
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SpectrumWorld/SA-MolNMR-Exp-1MOrganizations
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Benchmarking Positional Encodings for GNNs and Graph Transformers
Paper • 2411.12732 • Published • 1
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
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