Lv6
2040 积分 2022-07-08 加入
HMMF-MPP: Hierarchical multi-modal fusion with mixture-of-experts for molecular property prediction
7天前
已完结
A five-level cascade workflow for chemical reaction balancing and completion: Bridging deterministic graph algorithms and large language models
7天前
已完结
The evolving landscape of drug targets
8天前
已完结
Guiding large language models to predict edit sequences for molecular synthesizability optimization
8天前
已完结
Systematic Evaluation of Graph Neural Networks for Ligand-Based Virtual Screening on ChEMBL Datasets
16天前
已完结
Mutual Protein-Molecule Hash Learning for Targeted Drug Virtual Screening
16天前
已完结
DASH: A Pocket-Aware and Objective-Aware Framework for Million-Scale Structure-Based Molecular Generation
16天前
已完结
SynOmega: Simplifying Retrosynthesis for Efficient Synthesizability Scoring
20天前
已完结
A Molecular Language Model Driven Genetic Algorithm for Multi-Objective Molecular Generation
28天前
已完结
3D Geometric Equivariant Graph Neural Networks with Contrastive Learning for Protein–Ligand Binding Affinity Prediction
1个月前
已完结
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