Chirality emerges in SMILES translation models through an abrupt encoder-centered reorganization of representations after a long plateau, identified via checkpoint analysis and ablation.
A systematic review of deep learning chemical language models in recent era.J
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CACM improves language-based drug discovery agents by 36.4% via protocol auditing, a grounded diagnostician, and compressed static/dynamic/corrective memory channels that localize failures and bias corrections.
GLACIER combines graph, SMILES, and descriptor encoders with Finsler fusion and contrastive distillation to produce an efficient multimodal model for molecular property prediction.
citing papers explorer
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From Syntax to Semantics: Unveiling the Emergence of Chirality in SMILES Translation Models
Chirality emerges in SMILES translation models through an abrupt encoder-centered reorganization of representations after a long plateau, identified via checkpoint analysis and ablation.
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Constraint-Aware Corrective Memory for Language-Based Drug Discovery Agents
CACM improves language-based drug discovery agents by 36.4% via protocol auditing, a grounded diagnostician, and compressed static/dynamic/corrective memory channels that localize failures and bias corrections.
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GLACIER: A Multimodal Student-Teacher Foundation Model for Molecular Property Prediction
GLACIER combines graph, SMILES, and descriptor encoders with Finsler fusion and contrastive distillation to produce an efficient multimodal model for molecular property prediction.