4 papers · 1 filter
Multimodal Regression for Enzyme Turnover Rates Prediction
Bozhen Hu, Cheng Tan, Siyuan Li +4
The enzyme turnover rate is a fundamental parameter in enzyme kinetics, reflecting the catalytic efficiency of enzymes. However, enzyme turnover rates remain scarce across most org…
Adversarial Curriculum Graph-Free Knowledge Distillation for Graph Neural Networks
Yuang Jia, Xiaojuan Shan, Jun Xia +5
Data-free Knowledge Distillation (DFKD) is a method that constructs pseudo-samples using a generator without real data, and transfers knowledge from a teacher model to a student by…
MeToken: Uniform Micro-environment Token Boosts Post-Translational Modification Prediction
Cheng Tan, Zhenxiao Cao, Zhangyang Gao +6
Post-translational modifications (PTMs) profoundly expand the complexity and functionality of the proteome, regulating protein attributes and interactions that are crucial for biol…
FlexMol: A Flexible Toolkit for Benchmarking Molecular Relational Learning
Sizhe Liu, Jun Xia, Lecheng Zhang +8
Molecular relational learning (MRL) is crucial for understanding the interaction behaviors between molecular pairs, a critical aspect of drug discovery and development. However, th…