Lv4
520 积分 2025-12-24 加入
A unified pre-trained deep learning framework for cross-task reaction performance prediction and synthesis planning
2天前
已完结
Generative Modeling to Predict Multiple Suitable Conditions for Chemical Reactions
6天前
已完结
Big Data Meets Quantum Chemistry Approximations: The Δ-Machine Learning Approach
22天前
已完结
Bridging chemistry and artificial intelligence by a reaction description language
1个月前
已完结
MTEGDRP: Interpretable Molecular Self-Attention Transformer and Equivariant Graph Neural Network Based on Multi-Omics Fusion for Drug Response Prediction in Cancer Cell Lines
1个月前
已完结
DirectMultiStep: Direct Route Generation for Multistep Retrosynthesis
1个月前
已完结
ASKCOS: Open-Source, Data-Driven Synthesis Planning
1个月前
已完结
Neural‐Symbolic Machine Learning for Retrosynthesis and Reaction Prediction
2个月前
已完结
Deep lead optimization enveloped in protein pocket and its application in designing potent and selective ligands targeting LTK protein
2个月前
已完结
Simple, Efficient, and Scalable Structure-Aware Adapter Boosts Protein Language Models
2个月前
已完结
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