Yuanqi Du

2.9k total citations · 2 hit papers
38 papers, 533 citations indexed

About

Yuanqi Du is a scholar working on Computational Theory and Mathematics, Materials Chemistry and Electrical and Electronic Engineering. According to data from OpenAlex, Yuanqi Du has authored 38 papers receiving a total of 533 indexed citations (citations by other indexed papers that have themselves been cited), including 14 papers in Computational Theory and Mathematics, 13 papers in Materials Chemistry and 12 papers in Electrical and Electronic Engineering. Recurrent topics in Yuanqi Du's work include Computational Drug Discovery Methods (14 papers), Machine Learning in Materials Science (13 papers) and Protein Structure and Dynamics (8 papers). Yuanqi Du is often cited by papers focused on Computational Drug Discovery Methods (14 papers), Machine Learning in Materials Science (13 papers) and Protein Structure and Dynamics (8 papers). Yuanqi Du collaborates with scholars based in United States, China and Sweden. Yuanqi Du's co-authors include Liang Zhao, Chenru Duan, Xiaojie Guo, Haojun Jia, Yuval Shavitt, Amarda Shehu, Charles B. Harris, Arian R. Jamasb, Píetro Lió and Tom L. Blundell and has published in prestigious journals such as Journal of the American Chemical Society, Bioinformatics and Molecules.

In The Last Decade

Yuanqi Du

36 papers receiving 517 citations

Hit Papers

Machine learning-aided generative molecular design 2024 2026 2025 2024 2024 20 40 60
What are hit papers?

Hit papers significantly outperform the citation benchmark for their cohort. A paper qualifies if it has ≥500 total citations, achieves ≥1.5× the top-1% citation threshold for papers in the same subfield and year (this is the minimum needed to enter the top 1%, not the average within it), or reaches the top citation threshold in at least one of its specific research topics.

  1. Machine learning-aided generative molecular design
    2024 68 citations Yuanqi Du, Arian R. Jamasb et al. profile →
  2. Structure-based drug design with equivariant diffusion models
    2024 52 citations Arne Schneuing, Charles B. Harris et al. Nature Computational Science profile →

Peers

Yuanqi Du
Jiho Yoo South Korea
Jaemin Shin South Korea
Zhaohui Li China
Shuangli Li China
Yongqiang Zhang China
Muhammad Usman Hadi United Kingdom
Chensi Cao China
Xumin Chen China
Peiman Keshavarzian Iran
Jiho Yoo South Korea
Yuanqi Du
Citations per year, relative to Yuanqi Du Yuanqi Du (= 1×) peers Jiho Yoo

Countries citing papers authored by Yuanqi Du

Since Specialization
Citations

This map shows the geographic impact of Yuanqi Du's research. It shows the number of citations coming from papers published by authors working in each country. You can also color the map by specialization and compare the number of citations received by Yuanqi Du with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Yuanqi Du more than expected).

Fields of papers citing papers by Yuanqi Du

Since Specialization
Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Yuanqi Du. Nodes represent research fields, and links connect fields that are likely to share authors. Colored nodes show fields that tend to cite the papers produced by Yuanqi Du. The network helps show where Yuanqi Du may publish in the future.

Co-authorship network of co-authors of Yuanqi Du

This figure shows the co-authorship network connecting the top 25 collaborators of Yuanqi Du. A scholar is included among the top collaborators of Yuanqi Du based on the total number of citations received by their joint publications. Widths of edges represent the number of papers authors have co-authored together. Node borders signify the number of papers an author published with Yuanqi Du. Yuanqi Du is excluded from the visualization to improve readability, since they are connected to all nodes in the network.

All Works

20 of 20 papers shown
1.
2.
Wang, Jiaao, Pengbo Wang, Penghua Ying, et al.. (2025). AlphaNet: scaling up local-frame-based neural network interatomic potentials. npj Computational Materials. 11(1). 1 indexed citations
3.
Lü, Jieyu, Zhengshuai Song, Qiyuan Zhao, et al.. (2025). Generative Design of Functional Metal Complexes Utilizing the Internal Knowledge and Reasoning Capability of Large Language Models. Journal of the American Chemical Society. 147(36). 32377–32388. 4 indexed citations
4.
Wang, Shi-Yu, et al.. (2024). Controllable Data Generation by Deep Learning: A Review. ACM Computing Surveys. 56(9). 1–38. 9 indexed citations
5.
Schneuing, Arne, Charles B. Harris, Yuanqi Du, et al.. (2024). Structure-based drug design with equivariant diffusion models. Nature Computational Science. 4(12). 899–909. 52 indexed citations breakdown →
6.
Xia, Jun, Yanqiao Zhu, Yuanqi Du, & Stan Z. Li. (2023). A Systematic Survey of Chemical Pre-trained Models. 6787–6795. 28 indexed citations
7.
Duan, Chenru, Yuanqi Du, Haojun Jia, & Heather J. Kulik. (2023). Accurate transition state generation with an object-aware equivariant elementary reaction diffusion model. Nature Computational Science. 3(12). 1045–1055. 43 indexed citations
8.
Wang, Shi-Yu, Yuanqi Du, Xiaojie Guo, et al.. (2022). Controllable Data Generation by Deep Learning: A Review. arXiv (Cornell University). 4 indexed citations
9.
Du, Yuanqi, et al.. (2022). Small molecule generation via disentangled representation learning. Bioinformatics. 38(12). 3200–3208. 6 indexed citations
10.
Guo, Xiaojie, Yuanqi Du, & Liang Zhao. (2021). Property Controllable Variational Autoencoder via Invertible Mutual Dependence. International Conference on Learning Representations. 6 indexed citations
11.
Du, Yuanqi, et al.. (2021). GraphGT: Machine Learning Datasets for Graph Generation and Transformation. Neural Information Processing Systems. 7 indexed citations
12.
Liu, Pengbo, Hu Han, Yuanqi Du, et al.. (2021). Deep learning to segment pelvic bones: large-scale CT datasets and baseline models. International Journal of Computer Assisted Radiology and Surgery. 16(5). 749–756. 77 indexed citations
13.
Du, Yuanqi, et al.. (2021). Generative Adversarial Learning of Protein Tertiary Structures. Molecules. 26(5). 1209–1209. 15 indexed citations
14.
Guo, Xiaojie, Yuanqi Du, & Liang Zhao. (2021). Deep Generative Models for Spatial Networks. 505–515. 8 indexed citations
15.
Du, Yuanqi, et al.. (2021). Deep Latent-Variable Models for Controllable Molecule Generation. 2021 IEEE International Conference on Bioinformatics and Biomedicine (BIBM). 372–375. 3 indexed citations
16.
Du, Yuanqi, Xiaojie Guo, Amarda Shehu, & Liang Zhao. (2020). Interpretable Molecule Generation via Disentanglement Learning. 1–8. 7 indexed citations
17.
Dai, H. K. & Yuanqi Du. (2007). On the Bounded-Delay Minimum-Cost Path Problem of Quality-of-Service Routing. 14. 384–390. 1 indexed citations
18.
Du, Yuanqi, S. J. Ben Yoo, & Zhi Ding. (2006). Non-uniform spectral encoding of measured mode-locked laser pulses for performance enhancement of optical CDMA networks. 3 pp.–3 pp.. 1 indexed citations
19.
Ji, Chen, et al.. (2005). Electrical subharmonic hybrid mode locking of a colliding pulse mode-locked laser at 28 GHz. IEEE Photonics Technology Letters. 17(7). 1381–1383. 8 indexed citations
20.
Awerbuch, Baruch, Yuanqi Du, & Yuval Shavitt. (2000). The effect of network hierarchy structure on performance of ATM PNNI hierarchical routing. Computer Communications. 23(10). 980–986. 13 indexed citations

Rankless uses publication and citation data sourced from OpenAlex, an open and comprehensive bibliographic database. While OpenAlex provides broad and valuable coverage of the global research landscape, it—like all bibliographic datasets—has inherent limitations. These include incomplete records, variations in author disambiguation, differences in journal indexing, and delays in data updates. As a result, some metrics and network relationships displayed in Rankless may not fully capture the entirety of a scholar's output or impact.

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