Source code and data repository for "Ensembles of knowledge graph embedding models improve predictions for drug discovery"
☆20Jan 17, 2024Updated 2 years ago
Alternatives and similar repositories for kgem-ensembles-in-drug-discovery
Users that are interested in kgem-ensembles-in-drug-discovery are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆19Sep 14, 2024Updated last year
- Code to accompany the "Implications of Topological Imbalance for Representation Learning on Biomedical Knowledge Graphs" (Briefings in B…☆19Feb 11, 2026Updated 4 months ago
- Source code and data files for "PEMT: A patent enrichment tool with applicability in drug discovery"☆17Jan 27, 2025Updated last year
- Revised breaking of retrosynthetically interesting chemical substructures (r-BRICS) – a revised BRICS module based on rdKit that breaks r…☆18Mar 14, 2025Updated last year
- A Python package for benchmarking pathway database with functional enrichment and classification methods☆13Mar 2, 2021Updated 5 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Simple analyses and tutorials on the COVID-19 Knowledge Graph☆14Apr 27, 2020Updated 6 years ago
- KDS software for Kinase Drug Selectivity☆10Jun 22, 2026Updated last week
- ☆13Apr 15, 2024Updated 2 years ago
- ☆12Oct 9, 2024Updated last year
- Tutorial for "Advances in machine learning for molecules" (for Summer School for Machine Learning in Bioinformatics, https://cs.hse.ru/ss…☆20Aug 26, 2020Updated 5 years ago
- Models trained on the SPICE dataset☆10Sep 23, 2022Updated 3 years ago
- GNN enabled surrogate modeling for chemical docking☆16Nov 3, 2022Updated 3 years ago
- Code to accompany the "Understanding the Performance of Knowledge Graph Embeddings in Drug Discovery" manuscript (Artificial Intelligence…☆34Jan 8, 2026Updated 5 months ago
- ☆17Sep 4, 2023Updated 2 years ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- ☆14Jul 5, 2022Updated 3 years ago
- ☆13Oct 9, 2024Updated last year
- Source code accompanying the 'MF-PCBA: Multi-fidelity high-throughput screening benchmarks for drug discovery and machine learning' paper☆32Jul 29, 2025Updated 11 months ago
- A Python package for drug discovery by analyzing causal paths on multiscale networks☆28Jul 1, 2024Updated 2 years ago
- ☆25Aug 12, 2025Updated 10 months ago
- Method for drug repurposing from knowledge graphs and literature☆36Aug 28, 2020Updated 5 years ago
- App for serotonergic targets☆12Jan 8, 2026Updated 5 months ago
- EViS: an Enhanced Virtual Screening Approach based on Pocket Ligand Similarity☆14Dec 7, 2021Updated 4 years ago
- Data and code required to reach the main conclusions of the fastsmcg paper☆11Sep 19, 2023Updated 2 years ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- Network-based project to explore gene connectivity through biological scales☆24Oct 21, 2024Updated last year
- Software "Disease_ontologies_for_knowledge_graphs" - a knowledge base solution that uses Grakn core and disease ontologies cross-referenc…☆21Apr 16, 2021Updated 5 years ago
- 📊 Results from the reproducibility and benchmarking studies presented in "Bringing Light Into the Dark: A Large-scale Evaluation of Know…☆36Apr 19, 2022Updated 4 years ago
- Similarity search in heterogeneous knowledge graphs using meta paths.☆31Mar 11, 2023Updated 3 years ago
- ☆15Apr 14, 2023Updated 3 years ago
- Biomedical Entity Linking Benchmark☆14Dec 10, 2024Updated last year
- A Python package to download full article PDFs from OA publications☆54Jan 12, 2025Updated last year
- 3D-CNN based water position prediction method☆11Nov 20, 2023Updated 2 years ago
- NP-KG: Knowledge Graph Framework for Natural Product-Drug Interactions☆20Jun 25, 2024Updated 2 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- FASTDock: A Pipeline for Allosteric Drug Discovery - example scripts and jupyter notebook☆19Jun 10, 2023Updated 3 years ago
- Namespace encoding hierarchical relationships between proteins, protein families, and protein complexes.☆12Mar 9, 2021Updated 5 years ago
- ☆29Sep 1, 2023Updated 2 years ago
- A Comprehensive Topological Complexity Indicator for Small Molecules☆18Sep 14, 2024Updated last year
- Pipeline for assessing the tractability of potential targets (starting from Gene IDs)☆29Feb 9, 2025Updated last year
- a deep learning tool for the classification of biological sequences☆18May 13, 2026Updated last month
- ☆17Oct 10, 2021Updated 4 years ago