AstraZeneca / awesome-drug-discovery-knowledge-graphs
A collection of research papers, datasets and software related to knowledge graphs for drug discovery. Accompanies the paper "A review of biomedical datasets relating to drug discovery: a knowledge graph perspective" (Briefings in Bioinformatics, 2022)
☆223Updated 2 weeks ago
Alternatives and similar repositories for awesome-drug-discovery-knowledge-graphs:
Users that are interested in awesome-drug-discovery-knowledge-graphs are comparing it to the libraries listed below
- TxGNN: Zero-shot prediction of therapeutic use with geometric deep learning and clinician centered design☆195Updated 11 months ago
- A Knowledge Graph for Relational Learning On Biological Data☆95Updated last year
- ☆215Updated 2 years ago
- ☆65Updated last year
- OpenBioLink is a resource and evaluation framework for evaluating link prediction models on heterogeneous biomedical graph data.☆150Updated 11 months ago
- [Bioinformatics 2021] This is the repo for the paper `SumGNN: Multi-typed Drug Interaction Prediction via Efficient Knowledge Graph Summa…☆85Updated 8 months ago
- ☆55Updated 4 years ago
- The Clinical Trials Knowledge Graph☆57Updated 2 years ago
- Readings for "A Unified View of Relational Deep Learning for Drug Pair Scoring." (IJCAI 2022)☆94Updated 2 years ago
- Code to accompany the "Understanding the Performance of Knowledge Graph Embeddings in Drug Discovery" manuscript (Artificial Intelligence…☆33Updated 8 months ago
- SkipGNN: Predicting Molecular Interactions with Skip-Graph Networks (Scientific Reports)☆65Updated 4 years ago
- Hetionet: an integrative network of disease☆281Updated 2 years ago
- Deep functional residue identification☆317Updated 2 years ago
- Example code and data samples for "An experimentally validated approach to automated biological evidence generation in drug discovery usi…☆10Updated last year
- MolTrans: Molecular Interaction Transformer for Drug Target Interaction Prediction (Bioinformatics)☆206Updated 2 years ago
- Get protein embeddings from protein sequences☆486Updated last year
- Toolbox - generic utilities for data processing (e.g., parsing, proximity, guild scoring, etc...)☆110Updated 3 years ago
- A curated list of resources for machine learning for small-molecule drug discovery☆216Updated last year
- A collection of resources for Deep Learning in Python for Life Sciences (with focus on biotech and pharma).☆124Updated last month
- Benchmarking framework for protein representation learning. Includes a large number of pre-training and downstream task datasets, models …☆232Updated last month
- [ICLR 2022] OntoProtein: Protein Pretraining With Gene Ontology Embedding☆146Updated last month
- A knowledge graph and a set of tools for drug repurposing☆624Updated 2 years ago
- GraphDTA: Predicting drug-target binding affinity with graph neural networks☆248Updated 4 years ago
- Python package for graph neural networks in chemistry and biology☆750Updated last year
- [IJCAI 2023 survey track]A curated list of resources for chemical pre-trained models☆521Updated last year
- Tutorials for Machine Learning on Graphs☆220Updated 3 years ago
- Analysis notebooks and database interaction scripts for the nsides project☆19Updated 7 months ago
- Synthetic lethality (SL) is a promising gold mine for the discovery of anti-cancer drug targets. KG4SL is the first graph neural network …☆33Updated last year
- Interpretable bilinear attention network with domain adaptation improves drug-target prediction.☆118Updated 2 years ago
- NeoDTI: Neural integration of neighbor information from a heterogeneous network for discovering new drug-target interactions☆76Updated 3 years ago