log-RRIM: Yield Prediction via Local-to-global Reaction Representation Learning and Interaction Modeling. - Xiao Hu; Ziqi Chen; Bo Peng; Daniel Adu-Ampratwum; Xia Ning (CoRR, 2024)

RLSynC: Offline-Online Reinforcement Learning for Synthon Completion. - Frazier N. Baker; Ziqi Chen; Daniel Adu-Ampratwum; Xia Ning (J. Chem. Inf. Model., 2024)

ScienceAgentBench: Toward Rigorous Assessment of Language Agents for Data-Driven Scientific Discovery. - Ziru Chen; Shijie Chen; Yuting Ning; Qianheng Zhang; Boshi Wang; Botao Yu; Yifei Li 005; Zeyi Liao; Chen Wei; Zitong Lu; Vishal Dey; Mingyi Xue 001; et al. (ICLR, 2025)

Tooling or Not Tooling? The Impact of Tools on Language Agents for Chemistry Problem Solving. - Botao Yu; Frazier N. Baker; Ziru Chen; Garrett Herb; Boyu Gou; Daniel Adu-Ampratwum; Xia Ning; Huan Sun 001 (NAACL (Findings), 2025)

log-RRIM: Yield Prediction via Local-to-Global Reaction Representation Learning and Interaction Modeling. - Xiao Hu; Ziqi Chen; Daniel Adu-Ampratwum; Xia Ning (J. Chem. Inf. Model., 2025)

Generating 3D Binding Molecules Using Shape-Conditioned Diffusion Models with Guidance. - Ziqi Chen; Bo Peng 009; Tianhua Zhai; Daniel Adu-Ampratwum; Xia Ning (CoRR, 2025)

DiffER: Categorical Diffusion for Chemical Retrosynthesis. - Sean Current; Ziqi Chen; Daniel Adu-Ampratwum; Xia Ning; Srinivasan Parthasarathy 001 (CoRR, 2025)

tt DiffER: categorical diffusion ensembles for single-step chemical retrosynthesis. - Sean Current; Ziqi Chen; Daniel Adu-Ampratwum; Xia Ning; Srinivasan Parthasarathy 001 (J. Cheminformatics, 2025)