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- 2026
[i9]Frazier N. Baker, Trieu Nguyen, Reza Averly, Botao Yu, Daniel Adu-Ampratwum, Huan Sun, Xia Ning:
MMORF: A Multi-agent Framework for Designing Multi-objective Retrosynthesis Planning Systems. CoRR abs/2604.05075 (2026)- [i8]Ye Liu, Botao Yu, Xinyi Ling, Daniel Adu-Ampratwum, Xia Ning:
ARMOR: An Agentic Framework for Reaction Feasibility Prediction via Adaptive Utility-aware Multi-tool Reasoning. CoRR abs/2605.07103 (2026) - 2025
- [j3]Sean Current, Ziqi Chen, Daniel Adu-Ampratwum
, Xia Ning, Srinivasan Parthasarathy:
tt DiffER: categorical diffusion ensembles for single-step chemical retrosynthesis. J. Cheminformatics 17(1): 112 (2025) - [j2]Xiao Hu, Ziqi Chen, Daniel Adu-Ampratwum, Xia Ning:
log-RRIM: Yield Prediction via Local-to-Global Reaction Representation Learning and Interaction Modeling. J. Chem. Inf. Model. 65(15): 8042-8056 (2025) - [c2]Ziru Chen, Shijie Chen, Yuting Ning, Qianheng Zhang, Boshi Wang, Botao Yu, Yifei Li, Zeyi Liao, Chen Wei, Zitong Lu, Vishal Dey, Mingyi Xue, Frazier N. Baker, Benjamin Burns, Daniel Adu-Ampratwum, Xuhui Huang, Xia Ning, Song Gao, Yu Su, Huan Sun:
ScienceAgentBench: Toward Rigorous Assessment of Language Agents for Data-Driven Scientific Discovery. ICLR 2025 - [c1]Botao Yu, Frazier N. Baker, Ziru Chen, Garrett Herb, Boyu Gou, Daniel Adu-Ampratwum, Xia Ning, Huan Sun:
Tooling or Not Tooling? The Impact of Tools on Language Agents for Chemistry Problem Solving. NAACL (Findings) 2025: 7620-7640 - [i7]Ziqi Chen, Bo Peng, Tianhua Zhai, Daniel Adu-Ampratwum, Xia Ning:
Generating 3D Binding Molecules Using Shape-Conditioned Diffusion Models with Guidance. CoRR abs/2502.06027 (2025) - [i6]Sean Current, Ziqi Chen, Daniel Adu-Ampratwum, Xia Ning, Srinivasan Parthasarathy:
DiffER: Categorical Diffusion for Chemical Retrosynthesis. CoRR abs/2505.23721 (2025) - [i5]Frazier N. Baker, Daniel Adu-Ampratwum, Reza Averly, Botao Yu, Huan Sun, Xia Ning:
LARC: Towards Human-level Constrained Retrosynthesis Planning through an Agentic Framework. CoRR abs/2508.11860 (2025) - [i4]Hanane Nour Moussa, Patrick Queiroz Da Silva, Daniel Adu-Ampratwum, Alyson East, Zitong Lu, Nikki Puccetti, Mingyi Xue, Huan Sun, Bodhisattwa Prasad Majumder, Sachin Kumar:
ScholarEval: Research Idea Evaluation Grounded in Literature. CoRR abs/2510.16234 (2025) - 2024
- [j1]Frazier N. Baker, Ziqi Chen, Daniel Adu-Ampratwum, Xia Ning:
RLSynC: Offline-Online Reinforcement Learning for Synthon Completion. J. Chem. Inf. Model. 64(17): 6723-6735 (2024) - [i3]Ziru Chen, Shijie Chen, Yuting Ning, Qianheng Zhang, Boshi Wang, Botao Yu, Yifei Li, Zeyi Liao, Chen Wei, Zitong Lu, Vishal Dey, Mingyi Xue, Frazier N. Baker, Benjamin Burns, Daniel Adu-Ampratwum, Xuhui Huang, Xia Ning, Song Gao, Yu Su, Huan Sun:
ScienceAgentBench: Toward Rigorous Assessment of Language Agents for Data-Driven Scientific Discovery. CoRR abs/2410.05080 (2024) - [i2]Xiao Hu, Ziqi Chen, Bo Peng, Daniel Adu-Ampratwum, Xia Ning:
log-RRIM: Yield Prediction via Local-to-global Reaction Representation Learning and Interaction Modeling. CoRR abs/2411.03320 (2024) - [i1]Botao Yu, Frazier N. Baker, Ziru Chen, Garrett Herb, Boyu Gou, Daniel Adu-Ampratwum, Xia Ning, Huan Sun:
Tooling or Not Tooling? The Impact of Tools on Language Agents for Chemistry Problem Solving. CoRR abs/2411.07228 (2024)
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