QCBench: Evaluating Large Language Models on Domain-Specific Quantitative Chemistry
Fuente:
arXiv
Saved in:
| Main Authors: | Xie, Jiaqing, Wang, Weida, Gao, Ben, Yang, Zhuo, Wan, Haiyuan, Zhang, Shufei, Fu, Tianfan, Li, Yuqiang |
|---|---|
| Format: | Preprint |
| Published: |
2025
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
NMRTrans: Structure Elucidation from Experimental NMR Spectra via Set Transformers
by: Yang, Liujia, et al.
Published: (2026)
by: Yang, Liujia, et al.
Published: (2026)
From Generalist to Specialist: A Survey of Large Language Models for Chemistry
by: Han, Yang, et al.
Published: (2024)
by: Han, Yang, et al.
Published: (2024)
PhenoMoler: Phenotype-Guided Molecular Optimization via Chemistry Large Language Model
by: Song, Ran, et al.
Published: (2025)
by: Song, Ran, et al.
Published: (2025)
DeepProtein: Deep Learning Library and Benchmark for Protein Sequence Learning
by: Xie, Jiaqing, et al.
Published: (2024)
by: Xie, Jiaqing, et al.
Published: (2024)
MolAct: An Agentic RL Framework for Molecular Editing and Property Optimization
by: Yang, Zhuo, et al.
Published: (2025)
by: Yang, Zhuo, et al.
Published: (2025)
ChemSafetyBench: Benchmarking LLM Safety on Chemistry Domain
by: Zhao, Haochen, et al.
Published: (2024)
by: Zhao, Haochen, et al.
Published: (2024)
SkillsInjector: Dynamic Skill Context Construction for LLM Agents
by: Li, Yanchao, et al.
Published: (2026)
by: Li, Yanchao, et al.
Published: (2026)
A Review of Large Language Models and Autonomous Agents in Chemistry
by: Ramos, Mayk Caldas, et al.
Published: (2024)
by: Ramos, Mayk Caldas, et al.
Published: (2024)
Evaluating Large Language Models in Scientific Discovery
by: Song, Zhangde, et al.
Published: (2025)
by: Song, Zhangde, et al.
Published: (2025)
MDCrow: Automating Molecular Dynamics Workflows with Large Language Models
by: Campbell, Quintina, et al.
Published: (2025)
by: Campbell, Quintina, et al.
Published: (2025)
QuantumChem-200K: A Large-Scale Open Organic Molecular Dataset for Quantum-Chemistry Property Screening and Language Model Benchmarking
by: Zeng, Yinqi, et al.
Published: (2025)
by: Zeng, Yinqi, et al.
Published: (2025)
Large Language Model Agent for User-friendly Chemical Process Simulations
by: Liang, Jingkang, et al.
Published: (2026)
by: Liang, Jingkang, et al.
Published: (2026)
On the Reliability of AI Methods in Drug Discovery: Evaluation of Boltz-2 for Structure and Binding Affinity Prediction
by: Wan, Shunzhou, et al.
Published: (2026)
by: Wan, Shunzhou, et al.
Published: (2026)
OmniMatBench: A Human-Calibrated Multimodal Reasoning Benchmark Across 19 Materials Science Subfields
by: Liu, Wanhao, et al.
Published: (2026)
by: Liu, Wanhao, et al.
Published: (2026)
$Δ$-ML Ensembles for Selecting Quantum Chemistry Methods to Compute Intermolecular Interactions
by: Wallace, Austin M., et al.
Published: (2025)
by: Wallace, Austin M., et al.
Published: (2025)
Molecular Graph Representation Learning Integrating Large Language Models with Domain-specific Small Models
by: Zhang, Tianyu, et al.
Published: (2024)
by: Zhang, Tianyu, et al.
Published: (2024)
SpectrumWorld: Artificial Intelligence Foundation for Spectroscopy
by: Yang, Zhuo, et al.
Published: (2025)
by: Yang, Zhuo, et al.
Published: (2025)
From Static Spectra to Operando Infrared Dynamics: Physics Informed Flow Modeling and a Benchmark
by: Ye, Shuquan, et al.
Published: (2026)
by: Ye, Shuquan, et al.
Published: (2026)
Automated Molecular Concept Generation and Labeling with Large Language Models
by: Zhang, Zimin, et al.
Published: (2024)
by: Zhang, Zimin, et al.
Published: (2024)
Reasoning BO: Enhancing Bayesian Optimization with Long-Context Reasoning Power of LLMs
by: Yang, Zhuo, et al.
Published: (2025)
by: Yang, Zhuo, et al.
Published: (2025)
MolErr2Fix: Benchmarking LLM Trustworthiness in Chemistry via Modular Error Detection, Localization, Explanation, and Revision
by: Wu, Yuyang, et al.
Published: (2025)
by: Wu, Yuyang, et al.
Published: (2025)
A Large Encoder-Decoder Family of Foundation Models For Chemical Language
by: Soares, Eduardo, et al.
Published: (2024)
by: Soares, Eduardo, et al.
Published: (2024)
MOOSE-Chem: Large Language Models for Rediscovering Unseen Chemistry Scientific Hypotheses
by: Yang, Zonglin, et al.
Published: (2024)
by: Yang, Zonglin, et al.
Published: (2024)
DGLD: Domain-Gated Latent Diffusion for the Discovery of Novel Energetic Materials
by: Aperstein, Yehudit, et al.
Published: (2026)
by: Aperstein, Yehudit, et al.
Published: (2026)
A Bayesian Flow Network Framework for Chemistry Tasks
by: Tao, Nianze, et al.
Published: (2024)
by: Tao, Nianze, et al.
Published: (2024)
NMR-Solver: Automated Structure Elucidation via Large-Scale Spectral Matching and Physics-Guided Fragment Optimization
by: Jin, Yongqi, et al.
Published: (2025)
by: Jin, Yongqi, et al.
Published: (2025)
Unraveling Molecular Structure: A Multimodal Spectroscopic Dataset for Chemistry
by: Alberts, Marvin, et al.
Published: (2024)
by: Alberts, Marvin, et al.
Published: (2024)
Survey on Recent Progress of AI for Chemistry: Methods, Applications, and Opportunities
by: Ding, Hu, et al.
Published: (2025)
by: Ding, Hu, et al.
Published: (2025)
ChemEval: A Comprehensive Multi-Level Chemical Evaluation for Large Language Models
by: Huang, Yuqing, et al.
Published: (2024)
by: Huang, Yuqing, et al.
Published: (2024)
PharmaGPT: Domain-Specific Large Language Models for Bio-Pharmaceutical and Chemistry
by: Chen, Linqing, et al.
Published: (2024)
by: Chen, Linqing, et al.
Published: (2024)
FragmentFlow: Scalable Transition State Generation for Large Molecules
by: Shprints, Ron, et al.
Published: (2026)
by: Shprints, Ron, et al.
Published: (2026)
Agentic Discovery of Exchange-Correlation Density Functionals
by: Duston, Titouan, et al.
Published: (2026)
by: Duston, Titouan, et al.
Published: (2026)
Efficient Evolutionary Search Over Chemical Space with Large Language Models
by: Wang, Haorui, et al.
Published: (2024)
by: Wang, Haorui, et al.
Published: (2024)
Pre-trained Molecular Language Models with Random Functional Group Masking
by: Peng, Tianhao, et al.
Published: (2024)
by: Peng, Tianhao, et al.
Published: (2024)
Chunk Twice, Embed Once: A Systematic Study of Segmentation and Representation Trade-offs in Chemistry-Aware Retrieval-Augmented Generation
by: Amiri, Mahmoud, et al.
Published: (2025)
by: Amiri, Mahmoud, et al.
Published: (2025)
Reasoning-Driven Retrosynthesis Prediction with Large Language Models via Reinforcement Learning
by: Zhang, Situo, et al.
Published: (2025)
by: Zhang, Situo, et al.
Published: (2025)
El Agente: An Autonomous Agent for Quantum Chemistry
by: Zou, Yunheng, et al.
Published: (2025)
by: Zou, Yunheng, et al.
Published: (2025)
LICO: Large Language Models for In-Context Molecular Optimization
by: Nguyen, Tung, et al.
Published: (2024)
by: Nguyen, Tung, et al.
Published: (2024)
PRESTO: Progressive Pretraining Enhances Synthetic Chemistry Outcomes
by: Cao, He, et al.
Published: (2024)
by: Cao, He, et al.
Published: (2024)
A Large Language Model for Chemistry and Retrosynthesis Predictions
by: Zhang, Yueqing, et al.
Published: (2025)
by: Zhang, Yueqing, et al.
Published: (2025)
Similar Items
-
NMRTrans: Structure Elucidation from Experimental NMR Spectra via Set Transformers
by: Yang, Liujia, et al.
Published: (2026) -
From Generalist to Specialist: A Survey of Large Language Models for Chemistry
by: Han, Yang, et al.
Published: (2024) -
PhenoMoler: Phenotype-Guided Molecular Optimization via Chemistry Large Language Model
by: Song, Ran, et al.
Published: (2025) -
DeepProtein: Deep Learning Library and Benchmark for Protein Sequence Learning
by: Xie, Jiaqing, et al.
Published: (2024) -
MolAct: An Agentic RL Framework for Molecular Editing and Property Optimization
by: Yang, Zhuo, et al.
Published: (2025)