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cs.LG2026
Empowering LLMs for Structure-Based Drug Design via Exploration-Augmented Latent Inference
Xuanning Hu, Anchen Li, Qianli Xing +3
Large Language Models (LLMs) possess strong representation and reasoning capabilities, but their application to structure-based drug design (SBDD) is limited by insufficient unders…
cs.LG2024★ 2 cited
ADA-GNN: Atom-Distance-Angle Graph Neural Network for Crystal Material Property Prediction
Jiao Huang, Qianli Xing, Jinglong Ji +1
Property prediction is a fundamental task in crystal material research. To model atoms and structures, structures represented as graphs are widely used and graph learning-based met…