shubhamguptaiitd / GraphRNNLinks
Graph Generative Model (Pytorch implementation)
☆16Updated 5 years ago
Alternatives and similar repositories for GraphRNN
Users that are interested in GraphRNN are comparing it to the libraries listed below
Sorting:
- Efficient Learning of Message Passing Neural Networks for Molecular Property Production☆18Updated 5 years ago
- ☆59Updated 4 years ago
- InterpretableDTIP☆20Updated 7 years ago
- Conditional Constrained Graph Variational Autoencoders (CCGVAE) for Molecule Design☆20Updated 5 years ago
- Three-Dimensionally Embedded Graph Convolutional Network (3DGCN) for Molecule Interpretation☆54Updated 6 years ago
- ☆59Updated 7 years ago
- Recent application of graph neural network in drug discovery☆12Updated 5 years ago
- Code for paper "TrimNet: learning molecular representation from triplet messages for biomedicine "☆57Updated 2 years ago
- An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)☆51Updated 4 years ago
- Code and data for "NeVAE: A Deep Generative Model for Molecular Graphs", AAAI 2019☆56Updated 6 years ago
- Efficient Learning of Non-Autoregressive Graph Variational Autoencoders for Molecular Graph Generation☆41Updated 5 years ago
- Molecule Graph Generation using Graph Convolutional Networks-based Variational Graph AutoEncoders (VGAE) in PyTorch☆25Updated last year
- ☆58Updated 4 years ago
- A novel hybrid method for generating molecules with desired property scores.☆42Updated 4 years ago
- (differentiable) gradient-based optimization on a chemical graph for de novo molecule design/optimization (ICLR 2022)☆31Updated 2 years ago
- DPPIN: A Biological Repository of Dynamic Protein-Protein Interaction Network Data, IEEE BigData 2022☆31Updated 2 years ago
- CASTER: Predicting Drug Interactions with Chemical Substructure Representation (AAAI 2020)☆25Updated 5 years ago
- ☆67Updated 5 years ago
- Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)☆22Updated 4 years ago
- Junctional Tree Variational Auto-encoder☆27Updated 5 years ago
- Bayesian MPNNs for Molecular Property Prediction☆29Updated 5 years ago
- Deep Generative Models for Drug Combination (Graph Set) Generation given Hierarchical Disease Network Embedding☆31Updated 2 years ago
- EdgeSHAPer: Bond-Centric Shapley Value-Based Explanation Method for Graph Neural Networks☆27Updated 5 months ago
- This is the repository containing the source code for my Master's thesis research, about predicting drug-target interaction using deep le…☆44Updated 6 years ago
- MoFlow: an invertible flow model for generating molecular graphs☆146Updated 2 years ago
- MolRep: A Deep Representation Learning Library for Molecular Property Prediction☆129Updated last year
- Hierarchical Inter-Message Passing for Learning on Molecular Graphs☆80Updated 4 years ago
- MoleculeNet benchmark dataset & MolMapNet dataset☆66Updated 3 years ago
- ☆28Updated 2 years ago
- Fragment-based generative RL with Explorative Experience replay for Drug design (FREED)☆55Updated 3 years ago