📢 ABOUT US 📢
AI4Science research at diverse domains (not limited to drug discovery or material science)
Immediate openings
● ADME/T property prediction
● Mass spectrometry analysis & simulation
Ongoing researches
● material discovery
● semiconductor lithography
● physics-based modeling
● multi-objective optimization
Our research topics
ADME/T Prediction
● Property prediction across the entire drug development cycle
Related publications
[IJCAI’24] Dynamic Many-Objective Molecular Optimization: Unfolding Complexity with Objective Decomposition and Progressive Optimization (Long presentation, Top 2.2%)
[JBHI’24] FTMMR: Fusion Transformer for integrating Multiple Molecular Representations
Mass spectrum analysis
● Mass spectrometry analysis for in-vivo real-world drug discovery
Offline molecular optimization
● Molecular augmentation for offline optimization to resolve the time-consuming real-world experiments
Related publications
[ICML’25] Offline Model-based Optimization for Real-World Molecular Discovery
Computational lithography for semiconductor
● Mask optimization for semiconductor lithography
● Optical physics inspired neural kernel