Mathematical deep learning for pose and binding affinity prediction and ranking in D3R Grand Challenges

Neuroscience

• Binding Affinity 100%
• Kinase 33%
• Competition 33%
• Janus Kinase 33%
• Farnesoid X Receptor 33%
• Neural Network 33%
• Cathepsin S 33%

Chemical Engineering

• Deep Learning Method 100%
• Free Energy 100%
• Learning System 33%
• Deep Neural Network 33%