Bowen Gao

Bowen Gao

Ph.D. Student @ Tsinghua University | AI for Drug Discovery

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A list of all the posts and pages found on the site. For you robots out there is an XML version available for digesting as well.

Pages

Posts

Future Blog Post

less than 1 minute read

Published:

This post will show up by default. To disable scheduling of future posts, edit config.yml and set future: false.

Blog Post number 4

less than 1 minute read

Published:

This is a sample blog post. Lorem ipsum I can’t remember the rest of lorem ipsum and don’t have an internet connection right now. Testing testing testing this blog post. Blog posts are cool.

Blog Post number 3

less than 1 minute read

Published:

This is a sample blog post. Lorem ipsum I can’t remember the rest of lorem ipsum and don’t have an internet connection right now. Testing testing testing this blog post. Blog posts are cool.

Blog Post number 2

less than 1 minute read

Published:

This is a sample blog post. Lorem ipsum I can’t remember the rest of lorem ipsum and don’t have an internet connection right now. Testing testing testing this blog post. Blog posts are cool.

Blog Post number 1

less than 1 minute read

Published:

This is a sample blog post. Lorem ipsum I can’t remember the rest of lorem ipsum and don’t have an internet connection right now. Testing testing testing this blog post. Blog posts are cool.

portfolio

publications

Reframing Structure-Based Drug Design Model Evaluation via Metrics Correlated to Practical Needs

Published in ICLR 2025, 2025

Bowen Gao</strong>, Haichuan Tan, Yanwen Huang, Minsi Ren, Xiao Huang, Wei-Ying Ma, Ya-Qin Zhang, Yanyan Lan

Recommended citation: Bowen Gao*, Haichuan Tan*, Yanwen Huang, Minsi Ren, Xiao Huang, Wei-Ying Ma, Ya-Qin Zhang, Yanyan Lan. "Reframing Structure-Based Drug Design Model Evaluation via Metrics Correlated to Practical Needs." International Conference on Learning Representations (ICLR), 2025. https://openreview.net/pdf?id=RyWypcIMiE

AANet: Virtual Screening under Structural Uncertainty via Alignment and Aggregation

Published in NeurIPS 2025, 2025

Wenyu Zhu, Jianhui Wang, Bowen Gao*, Yinjun Jia, Haichuan Tan, Ya-Qin Zhang, Wei-Ying Ma, Yanyan Lan

Recommended citation: Wenyu Zhu*, Jianhui Wang*, Bowen Gao*, Yinjun Jia, Haichuan Tan, Ya-Qin Zhang, Wei-Ying Ma, Yanyan Lan. "AANet: Virtual Screening under Structural Uncertainty via Alignment and Aggregation." Advances in Neural Information Processing Systems (NeurIPS), 2025. #

Learning Protein–Ligand Binding in Hyperbolic Space

Published in AAAI 2026, 2026

Jianhui Wang, Wenyu Zhu, Bowen Gao*, Xin Hong, Ya-Qin Zhang, Wei-Ying Ma, Yanyan Lan

Recommended citation: Jianhui Wang*, Wenyu Zhu*, Bowen Gao*, Xin Hong, Ya-Qin Zhang, Wei-Ying Ma, Yanyan Lan. "Learning Protein–Ligand Binding in Hyperbolic Space." AAAI Conference on Artificial Intelligence, 2026. #

S²Drug: Bridging Protein Sequence and 3D Structure in Contrastive Representation Learning for Virtual Screening

Published in AAAI 2026, 2026

Bowei He, Bowen Gao, Yankai Chen, Yanyan Lan, Chen Ma, Philip S. Yu, Ya-Qin Zhang, Wei-Ying Ma

Recommended citation: Bowei He, Bowen Gao, Yankai Chen, Yanyan Lan, Chen Ma, Philip S. Yu, Ya-Qin Zhang, Wei-Ying Ma. "S²Drug: Bridging Protein Sequence and 3D Structure in Contrastive Representation Learning for Virtual Screening." AAAI Conference on Artificial Intelligence, 2026. #

Drugging the Undruggable: Benchmarking and Modeling Fragment-Based Screening

Published in ICLR 2026, 2026

Haichuan Tan*, Bowen Gao*, Jiaxin Li, Yinjun Jia, Wenyu Zhu, Wenxuan Xie, Yihong Liu, Yanwen Huang, Jianhui Wang, Yuanhuan Mo, Ya-Qin Zhang, Wei-Ying Ma, Yanyan Lan

Recommended citation: Haichuan Tan*, Bowen Gao*, Jiaxin Li, Yinjun Jia, Wenyu Zhu, Wenxuan Xie, Yihong Liu, Yanwen Huang, Jianhui Wang, Yuanhuan Mo, Ya-Qin Zhang, Wei-Ying Ma, Yanyan Lan. "Drugging the Undruggable: Benchmarking and Modeling Fragment-Based Screening." International Conference on Learning Representations (ICLR), 2026. #

talks

teaching

Teaching experience 1

Undergraduate course, University 1, Department, 2014

This is a description of a teaching experience. You can use markdown like any other post.

Teaching experience 2

Workshop, University 1, Department, 2015

This is a description of a teaching experience. You can use markdown like any other post.