wengong-jin / iclr19-graph2graph
Learning Multimodal Graph-to-Graph Translation for Molecular Optimization (ICLR 2019)
☆150Updated 6 years ago
Alternatives and similar repositories for iclr19-graph2graph
Users that are interested in iclr19-graph2graph are comparing it to the libraries listed below
Sorting:
- Pytroch implementation of MolGAN: An implicit generative model for small molecular graphs (https://arxiv.org/abs/1805.11973)☆170Updated 6 years ago
- GraphNVP: An Invertible Flow Model for Generating Molecular Graphs☆93Updated 2 years ago
- Sample code for Constrained Graph Variational Autoencoders☆235Updated last year
- Code and data for "NeVAE: A Deep Generative Model for Molecular Graphs", AAAI 2019☆54Updated 5 years ago
- MoFlow: an invertible flow model for generating molecular graphs☆136Updated 2 years ago
- Predicting Organic Reaction Outcomes with Weisfeiler-Lehman Network (NIPS 2017)☆151Updated 6 years ago
- Tensorflow implementation of MolGAN: An implicit generative model for small molecular graphs☆271Updated last year
- ☆54Updated 3 years ago
- Multi-Objective Molecule Generation using Interpretable Substructures (ICML 2020)☆150Updated 2 years ago
- ☆114Updated 9 months ago
- ☆81Updated last year
- Hierarchical Inter-Message Passing for Learning on Molecular Graphs☆79Updated 3 years ago
- Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018)☆525Updated 2 years ago
- ☆59Updated 6 years ago
- ☆166Updated 3 years ago
- ☆43Updated 7 years ago
- Interpreting graph convolutional filters of target prediction network☆48Updated 6 years ago
- Implementation of Retrosynthesis Prediction with Conditional Graph Logic Network☆123Updated 2 years ago
- Implementation of the paper - Automatic chemical design using a data-driven continuous representation of molecules☆46Updated 4 years ago
- ☆42Updated last year
- ☆353Updated 2 years ago
- Three-Dimensionally Embedded Graph Convolutional Network (3DGCN) for Molecule Interpretation☆55Updated 6 years ago
- Code for "Multi-Objective De Novo Drug Design with Conditional Graph Generative Model" (https://arxiv.org/abs/1801.07299)☆137Updated 6 years ago
- ☆63Updated 6 years ago
- Implementation of Learning Gradient Fields for Molecular Conformation Generation (ICML 2021).☆165Updated 3 years ago
- ☆68Updated 3 years ago
- Open source implementation of "Neural Message Passing for Quantum Chemistry"☆236Updated 7 years ago
- code for Syntax-Directed Variational Autoencoder that generates programs and molecues☆78Updated 6 years ago
- The official implementation of the Molecule Attention Transformer.☆245Updated 5 years ago
- Literature of deep learning for graphs in Chemistry and Biology☆200Updated 4 years ago