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cs.LG2025
SculptDrug : A Spatial Condition-Aware Bayesian Flow Model for Structure-based Drug Design
Qingsong Zhong, Haomin Yu, Yan Lin +3
Structure-Based drug design (SBDD) has emerged as a popular approach in drug discovery, leveraging three-dimensional protein structures to generate drug ligands. However, existing…
cs.LG2023★ 2 cited
A Crystal-Specific Pre-Training Framework for Crystal Material Property Prediction
Haomin Yu, Yanru Song, Jilin Hu +2
Crystal property prediction is a crucial aspect of developing novel materials. However, there are two technical challenges to be addressed for speeding up the investigation of crys…
cs.LG2021
MTNet: A Multi-Task Neural Network for On-Field Calibration of Low-Cost Air Monitoring Sensors
Haomin Yu, Yangli-ao Geng, Yingjun Zhang +2
The advances of sensor technology enable people to monitor air quality through widely distributed low-cost sensors. However, measurements from these sensors usually encounter high…