jiachengxiong / Literature
Recent application of graph neural network in drug discovery
☆10Updated 4 years ago
Alternatives and similar repositories for Literature:
Users that are interested in Literature are comparing it to the libraries listed below
- InterpretableDTIP☆20Updated 6 years ago
- A Spatial-temporal Gated Attention Module for Molecular Property Prediction Based on Molecular Geometry☆31Updated 3 years ago
- Zero-Shot 3D Drug Design by Sketching and Generating (NeurIPS 2022)☆32Updated 2 years ago
- Materials for KDD2023 tutorial: Knowledge-augmented Graph Machine Learning for Drug Discovery: from Precision to Interpretability☆21Updated 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
- ☆18Updated last year
- ☆66Updated 4 years ago
- ☆12Updated 3 years ago
- Repo of pharmacophoric constrained heterogeneous-graph-transformer☆16Updated last year
- Effective drug-target interaction prediction with mutual interaction neural network☆32Updated 2 years ago
- ☆13Updated 2 years ago
- MIMOSA: Multi-constraint Molecule Sampling for Molecule Optimization (AAAI 21')☆29Updated last year
- ☆24Updated 2 years ago
- Official implementation of 'Structure-aware Interactive Graph Neural Networks for the Prediction of Protein-Ligand Binding Affinity' (KDD…☆37Updated 3 years ago
- ☆14Updated 3 years ago
- The official codes and implementations of HimGNN model in paper:"HimGNN:a novel hierarchical molecular representations learning framewor…☆17Updated last year
- coming soon☆28Updated last year
- ☆22Updated last year
- Implementation of GEFA: Early Fusion Approach in Drug-Target Affinity Prediction☆20Updated 4 years ago
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆62Updated 10 months ago
- ☆17Updated last year
- ☆51Updated 2 years ago
- Official PyTorch implementation of "Molecular Representation Learning via Heterogeneous Motif Graph Neural Networks"☆34Updated 2 years ago
- An end-to-end heterogeneous graph representation learning-based framework for drug-target interaction prediction☆30Updated 2 years ago
- Junctional Tree Variational Auto-encoder☆21Updated 5 years ago
- Molecule Optimization via Fragment-based Generative Models☆42Updated last year
- ☆30Updated 3 years ago
- Unified 2D and 3D Pre-Training of Molecular Representations☆30Updated 2 years ago
- Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)☆45Updated 3 years ago