chao1224 / n_gram_graph
N-Gram Graph: Simple Unsupervised Representation for Graphs, NeurIPS'19 (https://arxiv.org/abs/1806.09206)
☆38Updated 3 years ago
Alternatives and similar repositories for n_gram_graph:
Users that are interested in n_gram_graph are comparing it to the libraries listed below
- Hierarchical Inter-Message Passing for Learning on Molecular Graphs☆77Updated 3 years ago
- Intrinsic-Extrinsic Convolution and Pooling for Learning on 3D Protein Structures☆49Updated 2 years ago
- Work on designing a graph co-attention algorithm.☆18Updated last year
- InterpretableDTIP☆19Updated 6 years ago
- Code for "Unifying Molecular and Textual Representations via Multi-task Language Modelling" @ ICML 2023☆36Updated 4 months ago
- Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)☆45Updated 3 years ago
- Implementation for the paper MoCL: Contrastive Learning on Molecular Graph with multi-level Domain Knowledge☆41Updated last year
- ☆52Updated 3 years ago
- Structured Multi-task Learning for Molecular Property Prediction, AISTATS'22 (https://proceedings.mlr.press/v151/liu22e.html)☆13Updated 2 years ago
- An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)☆51Updated 3 years ago
- Interpreting graph convolutional filters of target prediction network☆48Updated 5 years ago
- Implementation of GEFA: Early Fusion Approach in Drug-Target Affinity Prediction☆20Updated 4 years ago
- Materials for KDD2023 tutorial: Knowledge-augmented Graph Machine Learning for Drug Discovery: from Precision to Interpretability☆21Updated last year
- coming soon☆28Updated last year
- This is the repository containing the source code for my Master's thesis research, about predicting drug-target interaction using deep le…☆42Updated 5 years ago
- Chemical-Reaction-Aware Molecule Representation Learning☆76Updated 2 years ago
- Three-Dimensionally Embedded Graph Convolutional Network (3DGCN) for Molecule Interpretation☆55Updated 5 years ago
- Junctional Tree Variational Auto-encoder☆20Updated 4 years ago
- Code of our IJCAI2021 paper: "Learning Attributed Graph Representation with Communicative Message Passing Transformer"☆39Updated 2 years ago
- DeepGS: Deep Representation Learning of Graphs and Sequences for Drug-Target Binding Affinity Prediction (ECAI 2020)☆26Updated 4 years ago
- MolRep: A Deep Representation Learning Library for Molecular Property Prediction☆126Updated 4 months ago
- MoleculeNet benchmark dataset & MolMapNet dataset☆62Updated 2 years ago
- Recent application of graph neural network in drug discovery☆10Updated 4 years ago
- Code and data for QMO https://arxiv.org/abs/2011.01921☆35Updated 3 years ago
- GraphNVP: An Invertible Flow Model for Generating Molecular Graphs☆92Updated 2 years ago
- Bayesian MPNNs for Molecular Property Prediction☆27Updated 4 years ago
- Unified 2D and 3D Pre-Training of Molecular Representations☆29Updated 2 years ago
- PyTorch-based Neural Graph Fingerprint for Organic Molecule Representations☆26Updated 4 years ago
- Codes for "Property-Aware Relation Networks for Few-shot Molecular Property Prediction (NeurIPS 2021)".☆45Updated 2 years ago
- Source codes for 'A baseline for reliable molecular prediction models via Bayesian learning'☆28Updated 4 years ago