Lv31
210 积分 2025-12-24 加入
DirectMultiStep: Direct Route Generation for Multistep Retrosynthesis
6天前
已完结
ASKCOS: Open-Source, Data-Driven Synthesis Planning
8天前
已完结
Neural‐Symbolic Machine Learning for Retrosynthesis and Reaction Prediction
29天前
已完结
Deep lead optimization enveloped in protein pocket and its application in designing potent and selective ligands targeting LTK protein
1个月前
已完结
Simple, Efficient, and Scalable Structure-Aware Adapter Boosts Protein Language Models
1个月前
已完结
Computational Investigation of the PazB-Catalyzed Cyclopropanation Reaction: Role of Active-Site Water in SN2 Mechanism
1个月前
已完结
Deep Lead Optimization: Leveraging Generative AI for Structural Modification
1个月前
已完结
Learning on topological surface and geometric structure for 3D molecular generation
2个月前
已完结
ResGen is a pocket-aware 3D molecular generation model based on parallel multiscale modelling
2个月前
已完结
Modeling protein–ligand interactions for drug discovery in the era of deep learning
3个月前
已完结
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