bayer-science-for-a-better-life / phc-gnnLinks
Implementation of the Paper: "Parameterized Hypercomplex Graph Neural Networks for Graph Classification" by Tuan Le, Marco Bertolini, Frank Noé and Djork-Arné Clevert
☆32Updated 4 years ago
Alternatives and similar repositories for phc-gnn
Users that are interested in phc-gnn are comparing it to the libraries listed below
Sorting:
- Pytorch reimplementation of Molecule Attention Transformer, which uses a transformer to tackle the graph-like structure of molecules☆58Updated 4 years ago
- Implementation of Geometric Vector Perceptron, a simple circuit for 3d rotation equivariance for learning over large biomolecules, in Pyt…☆76Updated 4 years ago
- Replication attempt for the Protein Folding Model described in https://www.biorxiv.org/content/10.1101/2021.08.02.454840v1☆37Updated 3 years ago
- Repository for Autobahn: Automorphism Based Graph Neural Networks☆30Updated 3 years ago
- Hierarchical Inter-Message Passing for Learning on Molecular Graphs☆80Updated 3 years ago
- The OGB-LSC is the Large Scale Competition by Open Graph Benchmark to help accelerate research into machine learning on graph structured …☆78Updated last year
- [ICLR 2022] Data-Efficient Graph Grammar Learning for Molecular Generation☆97Updated 2 years ago
- Synthetic coordinates for GNNs, as proposed in "Directional Message Passing on Molecular Graphs via Synthetic Coordinates" (NeurIPS 2021)☆31Updated 2 years ago
- N-Gram Graph: Simple Unsupervised Representation for Graphs, NeurIPS'19 (https://arxiv.org/abs/1806.09206)☆39Updated 4 years ago
- ☆34Updated 6 months ago
- OTGNN code☆56Updated 5 years ago
- ☆11Updated 3 years ago
- Research repository for the proposed equivariant graph attention network that operates on large biomolecules proposed by Le et al. (2022)☆20Updated 2 years ago
- Implementation of Denoising Diffusion for protein design, but using the new Equiformer (successor to SE3 Transformers) with some addition…☆57Updated 2 years ago
- Codebase for Evaluating Attribution for Graph Neural Networks.☆83Updated 4 years ago
- Energy-based models for atomic-resolution protein conformations☆100Updated 3 years ago
- DeepGS: Deep Representation Learning of Graphs and Sequences for Drug-Target Binding Affinity Prediction (ECAI 2020)☆26Updated 5 years ago
- An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)☆51Updated 4 years ago
- This repository contains code for reproducing results in our paper Interpreting Potts and Transformer Protein Models Through the Lens of …☆58Updated 3 years ago
- ☆81Updated 2 years ago
- Official repository for the paper "Partition and Code: learning how to compress graphs" (NeurIPS'21) https://arxiv.org/abs/2107.01952☆35Updated 4 years ago
- ☆34Updated 5 years ago
- Geometric Deep Learning @ University of Cambridge☆26Updated 8 months ago
- Low Rank Global Attention for Graph Neural Networks☆12Updated 5 years ago
- RITA is a family of autoregressive protein models, developed by LightOn in collaboration with the OATML group at Oxford and the Debora Ma…☆98Updated 2 years ago
- Graph Positional and Structural Encoder☆53Updated 10 months ago
- A graph-based deep learning framework for life science☆123Updated 2 years ago
- Approximate subgraph motif mining through learnable edge contraction.☆13Updated 2 years ago
- Bi-Level Graph Neural Networks for Drug-Drug Interaction Prediction. ICML 2020 Graph Representation Learning and Beyond (GRL+) Workshop☆30Updated 5 years ago
- Source code for ICLR 2021 paper: "Molecule Optimization by Explainable Evolution"☆30Updated 4 years ago