rusty1s / himp-gnnLinks
Hierarchical Inter-Message Passing for Learning on Molecular Graphs
☆79Updated 3 years ago
Alternatives and similar repositories for himp-gnn
Users that are interested in himp-gnn are comparing it to the libraries listed below
Sorting:
- ☆166Updated 3 years ago
- Learning Multimodal Graph-to-Graph Translation for Molecular Optimization (ICLR 2019)☆150Updated 6 years ago
- ☆59Updated 6 years ago
- Implementation of Directional Graph Networks in PyTorch and DGL☆118Updated 4 years ago
- Code and data for "NeVAE: A Deep Generative Model for Molecular Graphs", AAAI 2019☆54Updated 5 years ago
- GraphNVP: An Invertible Flow Model for Generating Molecular Graphs☆93Updated 2 years ago
- ☆54Updated 3 years ago
- Pytroch implementation of MolGAN: An implicit generative model for small molecular graphs (https://arxiv.org/abs/1805.11973)☆170Updated 6 years ago
- MoFlow: an invertible flow model for generating molecular graphs☆137Updated 2 years ago
- Equivariant Subgraph Aggregation Networks (ICLR 2022 Spotlight)☆89Updated 2 years ago
- OTGNN code☆55Updated 4 years ago
- Multi-Objective Molecule Generation using Interpretable Substructures (ICML 2020)☆152Updated 2 years ago
- Repository for Autobahn: Automorphism Based Graph Neural Networks☆29Updated 3 years ago
- Interpreting graph convolutional filters of target prediction network☆48Updated 6 years ago
- ☆28Updated 3 years ago
- N-Gram Graph: Simple Unsupervised Representation for Graphs, NeurIPS'19 (https://arxiv.org/abs/1806.09206)☆38Updated 4 years ago
- ☆81Updated last year
- Code for paper "TrimNet: learning molecular representation from triplet messages for biomedicine "☆53Updated last year
- Official repository for the paper "Improving Graph Neural Network Expressivity via Subgraph Isomorphism Counting" (TPAMI'22) https://arxi…☆101Updated 3 years ago
- Chemical-Reaction-Aware Molecule Representation Learning☆77Updated 2 years ago
- Work on designing a graph co-attention algorithm.☆18Updated last year
- Efficient Learning of Non-Autoregressive Graph Variational Autoencoders for Molecular Graph Generation☆40Updated 4 years ago
- ☆63Updated 6 years ago
- ☆156Updated 3 years ago
- Codebase for Evaluating Attribution for Graph Neural Networks.☆81Updated 4 years ago
- The OGB-LSC is the Large Scale Competition by Open Graph Benchmark to help accelerate research into machine learning on graph structured …☆77Updated 10 months ago
- Pytorch reimplementation of Molecule Attention Transformer, which uses a transformer to tackle the graph-like structure of molecules☆59Updated 4 years ago
- Implementation of Retrosynthesis Prediction with Conditional Graph Logic Network☆124Updated 2 years ago
- Code for "Molecular Hypergraph Grammar with Its Application to Molecular Optimization"☆39Updated 5 months ago
- ☆67Updated 3 years ago