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Found 5 papers, 5 papers with code
Node-based Knowledge Graph Contrastive Learning for Medical Relationship Prediction
Particularly in biomedical relationship prediction tasks, NC-KGE outperforms all baselines on datasets such as PharmKG8k-28, DRKG17k-21, and BioKG72k-14, especially in predicting drug combination relationships.
More complex encoder is not all you need
To address the gap in relevant research, we extend our focus beyond the encoder and introduce neU-Net (i. e., not complex encoder U-Net), which incorporates a novel Sub-pixel Convolution for upsampling to construct a powerful decoder.
EC-Conf: An Ultra-fast Diffusion Model for Molecular Conformation Generation with Equivariant Consistency
In this paper, an equivariant consistency model (EC-Conf) was proposed as a fast diffusion method for low-energy conformation generation.
Complex reaction processes in combustion unraveled by neural network-based molecular dynamics simulation
Combustion is a complex chemical system which involves thousands of chemical reactions and generates hundreds of molecular species and radicals during the process.
Neural Network Based in Silico Simulation of Combustion Reactions
Through further development, the algorithms in this study can be used to explore and discovery reaction mechanisms of many complex reaction systems, such as combustion, synthesis, and heterogeneous catalysis without any predefined reaction coordinates and elementary reaction steps.
