DL4Drug

💊 The Road to Deep Learning for Drugs. A list of papers mentioned in this repo could be found from the references.

Mind Map

Contents

Molecular Representations

Molecular Fingerprints

• Circular Fingerprints
• Extended-connectivity fingerprints (ECFPs)
• Neural Graph Fingerprints

Graph-based Molecular Representations

• 3DMol-Net

• GDL on Molecular Representations

Molecular Generation

• Junction Tree Variational Autoencoder (JT-VAE)

DL4Protein

• DeepBGC

• ProtCNN

• TorchProtein

Deep Learning Technology

• Geometric Deep Learning