nicola-decao / MolGANLinks
Tensorflow implementation of MolGAN: An implicit generative model for small molecular graphs
☆279Updated last year
Alternatives and similar repositories for MolGAN
Users that are interested in MolGAN 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)☆173Updated 6 years ago
- Sample code for Constrained Graph Variational Autoencoders☆235Updated 2 years ago
- Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018)☆531Updated 2 years ago
- Learning Multimodal Graph-to-Graph Translation for Molecular Optimization (ICLR 2019)☆149Updated 6 years ago
- Open source implementation of "Neural Message Passing for Quantum Chemistry"☆234Updated 8 years ago
- Predicting Organic Reaction Outcomes with Weisfeiler-Lehman Network (NIPS 2017)☆155Updated 6 years ago
- Literature of deep learning for graphs in Chemistry and Biology☆201Updated 4 years ago
- Hierarchical Generation of Molecular Graphs using Structural Motifs☆406Updated 3 years ago
- The official implementation of the Molecule Attention Transformer.☆247Updated 5 years ago
- Code for "Multi-Objective De Novo Drug Design with Conditional Graph Generative Model" (https://arxiv.org/abs/1801.07299)☆138Updated 6 years ago
- ☆354Updated 2 years ago
- Graph neural network (GNN) for molecular property prediction (3D structure)☆99Updated 4 years ago
- ☆169Updated 3 years ago
- MoFlow: an invertible flow model for generating molecular graphs☆141Updated 2 years ago
- GraphNVP: An Invertible Flow Model for Generating Molecular Graphs☆96Updated 3 years ago
- Graph Neural Networks for Quantum Chemistry☆126Updated 7 years ago
- Multi-Objective Molecule Generation using Interpretable Substructures (ICML 2020)☆158Updated 2 years ago
- ☆59Updated 6 years ago
- The code of a graph neural network (GNN) for molecules, which is based on learning representations of r-radius subgraphs (i.e., fingerpri…☆327Updated 4 years ago
- Code and data for "NeVAE: A Deep Generative Model for Molecular Graphs", AAAI 2019☆56Updated 5 years ago
- ☆96Updated 5 years ago
- ☆81Updated last year
- Molecular De Novo design using Recurrent Neural Networks and Reinforcement Learning☆326Updated 4 years ago
- ☆389Updated 3 years ago
- Chemical Property Prediction with Graph Convolutional Networks☆60Updated 5 years ago
- Baselines models for GuacaMol benchmarks☆141Updated last year
- Implementation of Retrosynthesis Prediction with Conditional Graph Logic Network☆129Updated 2 years ago
- DimeNet and DimeNet++ models, as proposed in "Directional Message Passing for Molecular Graphs" (ICLR 2020) and "Fast and Uncertainty-Awa…☆330Updated last year
- ☆114Updated last year
- Convolutional nets which can take molecular graphs of arbitrary size as input.☆496Updated 7 years ago