# Generative Model

- JMLR: NEVAE: A Deep Generative Model for Molecular Graphs
- MolGAN: An implicit generative model for small molecular graphs
- Learning Discrete Structures for Graph Neural Networks
- Deep learning for molecular generation
- Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models
- Concepts of Artificial Intelligence for Computer-Assisted Drug Discovery
- Science: Inverse molecular design using machine learning: Generative models for matter engineering
- Generative Models for Automatic Chemical Design
- Autonomous Molecular Design: Then and Now
- SELFIES: a robust representation of semantically constrained graphs with an example application in chemistry
- Inverse Design of Solid-State Materials via a Continuous Representation
- The rise of deep learning in drug discovery
- Constrained Graph Variational Autoencoders for Molecule Design
- Conditional Molecular Design with Deep Generative Models
- ICLR 18: NerveNet: Learning Structured Policy with Graph Neural Networks
- Graph convolutional policy network for goal-directed molecular graph generation
- Molecular sets (MOSES): a benchmarking platform for molecular generation models
- GraphAF: a Flow-based Autoregressive Model for Molecular Graph Generation

# Molecular Graph

- Neural Message Passing for Quantum Chemistry
- NIPS 20: RetroXpert: Decompose Retrosynthesis Prediction like A Chemist
- Accelerating the discovery of materials for clean energy in the era of smart automation
- Junction tree variational autoencoder for molecular graph generation
- Schnet: A continuous-filter convolutional neural network for modeling quantum interactions
- Machine learning in computer-aided synthesis planning
- Computer-assisted retrosynthesis based on molecular similarity
- Graph networks as a universal machine learning framework for molecules and crystals
- Entangled conditional adversarial autoencoder for de novo drug discovery
- ICML 20 Directional Message Passing for Molecular Graphs

### mufeili/DL4MolecularGraph

Literature of deep learning for graphs in Chemistry and Biology - mufeili/DL4MolecularGraph