Lv6
2294 积分 2022-11-01 加入
Quantum-Embedded Graph Neural Network Architecture for Molecular Property Prediction
1年前
已完结
Advancements in Molecular Property Prediction: A Survey of Single and Multimodal Approaches
1年前
已完结
Machine learning in polymer science: A new lens for physical and chemical exploration
1年前
已完结
ChemReactSeek: Artificial Intelligence-Guided Chemical Reaction Protocol Design Using Retrieval-Augmented Large Language Models
1年前
已完结
Analytic potential energy functions for benzene–water interactions based on accurate ab initio calculations and the ghost atom formalism
1年前
已完结
RxnCluster: A Web-Based Tool for Exploring Reaction Clusters Leading to Target Molecules by Digitalizing Typical Biosynthetic Patterns
1年前
已完结
The chemistry of the universe
1年前
已关闭
MoGE: A Benchmark for Comprehensive Evaluation of Molecular Generation Models in De Novo Drug Design
1年前
已完结
Mol-L2: Transferring text knowledge with frozen language models for molecular representation learning
1年前
已完结
ReaxANA: Analysis of Reactive Dynamics Trajectories for Reaction Network Generation
1年前
已完结
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