activity
20222026
most citedGenerating 3D Molecules for Target Protein Binding

46 citations · 64 across the 5 of their papers we have counts for

collaborators

5 papers

cs.RO2026

IndoorR2X: Indoor Robot-to-Everything Coordination with LLM-Driven Planning

Fan Yang, Soumya Teotia, Shaunak A. Mehta +8

Although robot-to-robot (R2R) communication improves indoor scene understanding beyond what a single robot can achieve, R2R alone cannot overcome partial observability without subs…

cs.LG2025

ATLO-ML: Adaptive Time-Length Optimizer for Machine Learning -- Insights from Air Quality Forecasting

I-Hsi Kao, Kanji Uchino

Accurate time-series predictions in machine learning are heavily influenced by the selection of appropriate input time length and sampling rate. This paper introduces ATLO-ML, an a…

q-bio.BM2023★ 9 cited

A Latent Diffusion Model for Protein Structure Generation

Cong Fu, Keqiang Yan, Limei Wang +7

Proteins are complex biomolecules that perform a variety of crucial functions within living organisms. Designing and generating novel proteins can pave the way for many future synt…

q-bio.BM2022★ 46 cited

Generating 3D Molecules for Target Protein Binding

Meng Liu, Youzhi Luo, Kanji Uchino +2

A fundamental problem in drug discovery is to design molecules that bind to specific proteins. To tackle this problem using machine learning methods, here we propose a novel and ef…

cs.LG2022★ 9 cited

Automated Data Augmentations for Graph Classification

Youzhi Luo, Michael McThrow, Wing Yee Au +4

Data augmentations are effective in improving the invariance of learning machines. We argue that the core challenge of data augmentations lies in designing data transformations tha…