zhiqiangzhongddu / KDD2023_KaGML_DrugDiscovery_TutorialLinks
Materials for KDD2023 tutorial: Knowledge-augmented Graph Machine Learning for Drug Discovery: from Precision to Interpretability
☆23Updated 2 years ago
Alternatives and similar repositories for KDD2023_KaGML_DrugDiscovery_Tutorial
Users that are interested in KDD2023_KaGML_DrugDiscovery_Tutorial are comparing it to the libraries listed below
Sorting:
- This repository provides an implementation of the DTiGEMSplus tool, a network-based method for computational Drug-Target Interaction pred…☆27Updated 4 years ago
- Deep Generative Models for Drug Combination (Graph Set) Generation given Hierarchical Disease Network Embedding☆31Updated 2 years ago
- Source codes for 'A baseline for reliable molecular prediction models via Bayesian learning'☆29Updated 4 years ago
- SkipGNN: Predicting Molecular Interactions with Skip-Graph Networks (Scientific Reports)☆64Updated 5 years ago
- A LLM agent framework for drug discovery☆18Updated 3 months ago
- Recent application of graph neural network in drug discovery☆11Updated 5 years ago
- ☆32Updated 6 years ago
- Learning with uncertainty for biological discovery and design☆34Updated 2 years ago
- Computes a molecular graph for protein structures.☆58Updated this week
- EdgeSHAPer: Bond-Centric Shapley Value-Based Explanation Method for Graph Neural Networks☆27Updated 2 months ago
- [Bioinformatics 2022] Cross-Modality and Self-Supervised Protein Embedding for Compound-Protein Affinity and Contact Prediction☆16Updated last year
- Source code for ICLR 2021 paper: "Molecule Optimization by Explainable Evolution"☆30Updated 4 years ago
- This is the repository containing the source code for my Master's thesis research, about predicting drug-target interaction using deep le…☆44Updated 6 years ago
- Comparing graph representations for molecular features prediction☆24Updated 2 years ago
- AAAI 2020: Chemically Interpretable Graph Interaction Network for Prediction of Pharmacokinetic Properties of Drug-like Molecules☆35Updated 3 years ago
- ☆12Updated last year
- ☆58Updated 4 years ago
- ☆54Updated last year
- a method for CPI and DTA prediction