bowenliu16 / rl_graph_generationLinks
☆355Updated 2 years ago
Alternatives and similar repositories for rl_graph_generation
Users that are interested in rl_graph_generation are comparing it to the libraries listed below
Sorting:
- Open source implementation of "Neural Message Passing for Quantum Chemistry"☆234Updated 8 years ago
- Pytroch implementation of MolGAN: An implicit generative model for small molecular graphs (https://arxiv.org/abs/1805.11973)☆174Updated 6 years ago
- Learning Multimodal Graph-to-Graph Translation for Molecular Optimization (ICLR 2019)☆148Updated 6 years ago
- ☆428Updated 6 years ago
- Sample code for Constrained Graph Variational Autoencoders☆236Updated 2 years ago
- Tensorflow implementation of MolGAN: An implicit generative model for small molecular graphs☆283Updated last year
- Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018)☆533Updated 2 years ago
- Implementation of Principal Neighbourhood Aggregation for Graph Neural Networks in PyTorch, DGL and PyTorch Geometric☆353Updated 3 months ago
- Efficient Graph Generation with Graph Recurrent Attention Networks, Deep Generative Model of Graphs, Graph Neural Networks, NeurIPS 2019☆477Updated 2 years ago
- Multi-View Spectral Graph Convolution with Consistent Edge Attention for Molecular Modeling☆203Updated 3 years ago
- GraphRNN: Generating Realistic Graphs with Deep Auto-regressive Models☆727Updated 3 years ago
- Graph Neural Networks for Quantum Chemistry☆126Updated 7 years ago
- Source code for our AAAI paper "Weisfeiler and Leman Go Neural: Higher-order Graph Neural Networks".☆188Updated 3 years ago
- Explainability techniques for Graph Networks, applied to a synthetic dataset and an organic chemistry task. Code for the workshop paper "…☆124Updated 5 years ago
- Our own implementation of Neural Message Passing for Computer Vision paper☆344Updated 5 years ago
- Hierarchical Generation of Molecular Graphs using Structural Motifs☆409Updated 3 years ago
- Position-aware Graph Neural Networks☆399Updated 4 years ago
- Hierarchical Inter-Message Passing for Learning on Molecular Graphs☆80Updated 3 years ago
- ☆114Updated last year
- ☆43Updated 2 years ago
- Hierarchical Graph Pooling with Structure Learning☆342Updated 4 years ago
- Lanczos Network, Graph Neural Networks, Deep Graph Convolutional Networks, Deep Learning on Graph Structured Data, QM8 Quantum Chemistry …☆314Updated 5 years ago
- Literature of deep learning for graphs in Chemistry and Biology☆201Updated 4 years ago
- DimeNet and DimeNet++ models, as proposed in "Directional Message Passing for Molecular Graphs" (ICLR 2020) and "Fast and Uncertainty-Awa…☆337Updated last year
- Implementation of the paper "NetGAN: Generating Graphs via Random Walks".☆195Updated 4 years ago
- MoFlow: an invertible flow model for generating molecular graphs☆143Updated 2 years ago
- Code and data for "NeVAE: A Deep Generative Model for Molecular Graphs", AAAI 2019☆56Updated 5 years ago
- Predicting Organic Reaction Outcomes with Weisfeiler-Lehman Network (NIPS 2017)☆156Updated 6 years ago
- ☆155Updated 4 years ago
- Attention over nodes in Graph Neural Networks using PyTorch (NeurIPS 2019)☆286Updated 4 years ago