rusty1s / himp-gnn
Hierarchical Inter-Message Passing for Learning on Molecular Graphs
☆77Updated 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
- ☆165Updated 3 years ago
- ☆53Updated 3 years ago
- Implementation of Directional Graph Networks in PyTorch and DGL☆118Updated 3 years ago
- ☆58Updated 6 years ago
- Learning Multimodal Graph-to-Graph Translation for Molecular Optimization (ICLR 2019)☆149Updated 6 years ago
- GraphNVP: An Invertible Flow Model for Generating Molecular Graphs☆92Updated 2 years ago
- MoFlow: an invertible flow model for generating molecular graphs☆134Updated 2 years ago
- Repository for Autobahn: Automorphism Based Graph Neural Networks☆29Updated 3 years ago
- Work on designing a graph co-attention algorithm.☆18Updated last year
- Codebase for Evaluating Attribution for Graph Neural Networks.☆76Updated 4 years ago
- Code and data for "NeVAE: A Deep Generative Model for Molecular Graphs", AAAI 2019☆54Updated 5 years ago
- DPPIN: A Biological Repository of Dynamic Protein-Protein Interaction Network Data, IEEE BigData 2022☆28Updated 2 years ago
- Official repository for the paper "Improving Graph Neural Network Expressivity via Subgraph Isomorphism Counting" (TPAMI'22) https://arxi…☆100Updated 3 years ago
- Bi-Level Graph Neural Networks for Drug-Drug Interaction Prediction. ICML 2020 Graph Representation Learning and Beyond (GRL+) Workshop☆29Updated 4 years ago
- OTGNN code☆55Updated 4 years ago
- Efficient Learning of Non-Autoregressive Graph Variational Autoencoders for Molecular Graph Generation☆40Updated 4 years ago
- Pytroch implementation of MolGAN: An implicit generative model for small molecular graphs (https://arxiv.org/abs/1805.11973)☆168Updated 6 years ago
- ☆155Updated 3 years ago
- N-Gram Graph: Simple Unsupervised Representation for Graphs, NeurIPS'19 (https://arxiv.org/abs/1806.09206)☆39Updated 3 years ago
- Official implementation of NeurIPS'21 paper"Motif-based Graph Self-Supervised Learning for Molecular Property Prediction"☆117Updated last year
- Interpreting graph convolutional filters of target prediction network☆48Updated 6 years ago
- ☆81Updated last year
- Official Implementation of "GRPE: Relative Positional Encoding for Graph Transformer"☆55Updated 2 years ago
- Equivariant Subgraph Aggregation Networks (ICLR 2022 Spotlight)☆87Updated last year
- An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)☆51Updated 3 years ago
- This repository contains PyTorch implementation of the following paper: "Order Matters: Probabilistic Modeling of Node Sequence for Graph…☆27Updated 2 years ago
- SkipGNN: Predicting Molecular Interactions with Skip-Graph Networks (Scientific Reports)☆64Updated 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 …☆75Updated 7 months ago
- Three-Dimensionally Embedded Graph Convolutional Network (3DGCN) for Molecule Interpretation☆55Updated 5 years ago
- Code for the paper: "On the Bottleneck of Graph Neural Networks and Its Practical Implications"☆94Updated 2 years ago