MathDL: mathematical deep learning for D3R Grand Challenge 4

Mathematics

• Grand Challenge 100%
• Deep Learning Method 100%
• Prediction 80%
• Mathematics 20%
• Algebraic Topology 20%
• correlation coefficient ρ 20%
• Differential Geometry 20%
• Mean Square Error 20%
• Interaction 20%
• Roots 20%
• Convolutional Neural Network 20%

Chemistry

• Electron Affinity 100%
• Free Energy 100%
• Energy 33%
• Ligand 33%
• Molecules 33%
• Procedure 33%
• Error 33%

Chemical Engineering

• Deep Learning Method 100%
• Free Energy 60%
• Neural Network 20%