jiachengxiong / LiteratureLinks
Recent application of graph neural network in drug discovery
☆11Updated 5 years ago
Alternatives and similar repositories for Literature
Users that are interested in Literature are comparing it to the libraries listed below
Sorting:
- InterpretableDTIP☆20Updated 6 years ago
- Repo of pharmacophoric constrained heterogeneous-graph-transformer☆17Updated 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
- ☆19Updated last year
- Zero-Shot 3D Drug Design by Sketching and Generating (NeurIPS 2022)☆34Updated 2 years ago
- Effective drug-target interaction prediction with mutual interaction neural network☆32Updated 3 years ago
- This is the repository containing the source code for my Master's thesis research, about predicting drug-target interaction using deep le…☆42Updated 6 years ago
- ☆12Updated 4 years ago
- Unified 2D and 3D Pre-Training of Molecular Representations☆30Updated 2 years ago
- ☆9Updated 3 years ago
- Implementation for the paper MoCL: Contrastive Learning on Molecular Graph with multi-level Domain Knowledge☆41Updated last year
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆67Updated last year
- ☆14Updated 3 years ago
- Implementation of GEFA: Early Fusion Approach in Drug-Target Affinity Prediction☆21Updated 4 years ago
- coming soon☆28Updated 2 years ago
- The official codes and implementations of HimGNN model in paper:"HimGNN:a novel hierarchical molecular representations learning framewor…☆20Updated last year
- ☆20Updated 2 years ago
- ☆14Updated 5 years ago
- ☆25Updated 3 years ago
- ☆67Updated 4 years ago
- ☆15Updated 3 years ago
- ☆9Updated last year
- ☆47Updated last year
- An end-to-end heterogeneous graph representation learning-based framework for drug-target interaction prediction☆30Updated 2 years ago
- Materials for KDD2023 tutorial: Knowledge-augmented Graph Machine Learning for Drug Discovery: from Precision to Interpretability☆23Updated last year
- This repository provides an implementation of the DTiGEMSplus tool, a network-based method for computational Drug-Target Interaction pred…☆27Updated 3 years ago
- Molecule Optimization via Fragment-based Generative Models☆42Updated 2 years ago
- ☆25Updated 9 months ago
- ☆22Updated 2 years ago
- Fragment-based generative RL with Explorative Experience replay for Drug design (FREED)☆53Updated 3 years ago