37 citations · 75 across the 17 of their papers we have counts for
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cs.LG2026
Representation-Guided Discrete Molecular Graph Retrosynthesis
Jiahai Huang, Anjie Qiao, Zhen Wang +2
Stochastic process-based molecular graph generators have become the state of the art for template-free single-step retrosynthesis. However, these models are typically trained only…
cs.LG2025
MolGraph-xLSTM: A graph-based dual-level xLSTM framework with multi-head mixture-of-experts for enhanced molecular representation and interpretability
Yan Sun, Yutong Lu, Yan Yi Li +3
Predicting molecular properties is essential for drug discovery, and computational methods can greatly enhance this process. Molecular graphs have become a focus for representation…