Knowledge-enhanced Contrastive Learning (KCL)

Molecular Contrastive Learning with Chemical Element Knowledge Graph [ AAAI 2022 ].

We construct a Chemical Element Knowledge Graph (KG) to summarize microscopic associations between elements and propose a novel Knowledge-enhanced Contrastive Learning (KCL) framework for molecular representation learning.

Model Architecture

Result

To-do List

• Usage
• Requirements
• Data
• Pretrained Model
• Parameter
• Running
• Acknowledgements
• Cite