3D Infomax improves GNNs for Molecular Property Prediction

Keyphrases

• Molecular Property Prediction 100%
• Infomax 100%
• Graph Neural Network 66%
• Molecular Graph 66%
• Mechanical Properties 33%
• 3D Structure 33%
• 3D Information 33%
• Mutual Information 33%
• Fast-growing 33%
• Real-world Application 33%
• Downstream Task 33%
• Graph Structure 33%
• Deep Learning Applications 33%
• Quantum Mechanical 33%
• Learning Representations 33%
• Molecular Datasets 33%
• Summary Vector 33%
• Real-world Impact 33%
• Molecular Space 33%

Computer Science

• Graph Neural Network 100%
• World Application 50%
• Mutual Information 50%
• Deep Learning Method 50%

Chemical Engineering

• Neural Network 100%
• Deep Learning Method 50%