Hanjun-Dai / sdvae
code for Syntax-Directed Variational Autoencoder that generates programs and molecues
☆79Updated 6 years ago
Related projects: ⓘ
- Code and data for "NeVAE: A Deep Generative Model for Molecular Graphs", AAAI 2019☆54Updated 4 years ago
- Learning Multimodal Graph-to-Graph Translation for Molecular Optimization (ICLR 2019)☆147Updated 5 years ago
- Code for the "Grammar Variational Autoencoder" https://arxiv.org/abs/1703.01925☆271Updated 4 years ago
- Molecular-GAT☆21Updated 6 years ago
- ☆49Updated 3 months ago
- Energy-based models for atomic-resolution protein conformations☆95Updated 2 years ago
- ☆42Updated last year
- Data and models (with prediction scripts) used in publications related to Apollo1060 platform☆64Updated 3 months ago
- GraphNVP: An Invertible Flow Model for Generating Molecular Graphs☆91Updated 2 years ago
- Junction Tree Variational AutoEncoder Implementation Attempt☆10Updated 6 years ago
- Implementation of "Semi-supervised learning of hierarchical representations of molecules using neural message passing" (arXiv:1711.10168)☆14Updated 6 years ago
- Learning protein structure with a differentiable simulator☆26Updated 5 years ago
- Code for "Molecular Hypergraph Grammar with Its Application to Molecular Optimization"☆38Updated 4 years ago
- ☆61Updated 5 years ago
- ☆81Updated 11 months ago
- Chemical Property Prediction with Graph Convolutional Networks☆60Updated 4 years ago
- Predicting Organic Reaction Outcomes with Weisfeiler-Lehman Network (NIPS 2017)☆143Updated 5 years ago
- Hierarchical Inter-Message Passing for Learning on Molecular Graphs☆76Updated 2 years ago
- Code for our paper "Barking up the right tree: an approach to search over molecule synthesis DAGs"☆44Updated 4 months ago
- ☆59Updated 5 years ago
- Code for the ICML 2019 paper 'Conditioning by adaptive sampling for robust design'☆33Updated 3 years ago
- A project to enable optimization of molecules by transforming them to and from a continuous representation.☆153Updated 7 years ago
- Sample code for Constrained Graph Variational Autoencoders☆229Updated last year
- Code for our paper "A Model to Search for Synthesizable Molecules" (https://arxiv.org/abs/1906.05221)☆76Updated last year
- Pytroch implementation of MolGAN: An implicit generative model for small molecular graphs (https://arxiv.org/abs/1805.11973)☆161Updated 5 years ago
- ☆37Updated this week
- Implementation of Retrosynthesis Prediction with Conditional Graph Logic Network☆115Updated last year
- ☆50Updated 3 years ago
- Deriving Neural Architectures from Sequence and Graph Kernels☆60Updated 6 years ago