Readings for "A Unified View of Relational Deep Learning for Drug Pair Scoring." (IJCAI 2022)
☆99Aug 7, 2022Updated 3 years ago
Alternatives and similar repositories for awesome-drug-pair-scoring
Users that are interested in awesome-drug-pair-scoring are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Code to accompany the "Implications of Topological Imbalance for Representation Learning on Biomedical Knowledge Graphs" (Briefings in B…☆19Feb 11, 2026Updated 4 months ago
- A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)☆781Sep 11, 2023Updated 2 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
- code for Gogleva et al manuscript☆46Nov 30, 2022Updated 3 years ago
- A general purpose recommender metrics library for fair evaluation.☆277Aug 22, 2023Updated 2 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- PyMOL Plugin for displaying polar contacts☆20Mar 11, 2019Updated 7 years ago
- SPLICE-q -- A Python tool for genome-wide SPLIcing Efficiency quantification from RNA-seq data.☆11Sep 15, 2023Updated 2 years ago
- InterpretableDTIP☆20Jul 30, 2018Updated 7 years ago
- A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)☆1,161Jun 10, 2024Updated 2 years ago
- learning biology syllabus, geared for machine learning folks☆148Dec 5, 2022Updated 3 years ago
- A high throughput automated drug discovery pipeline.☆30Mar 16, 2018Updated 8 years ago
- Efficiently calculate 3D-features for quantitative structure-activity relationship approaches.☆74Feb 1, 2024Updated 2 years ago
- The official implementation of "The Shapley Value of Classifiers in Ensemble Games" (CIKM 2021).☆225Jan 1, 2026Updated 5 months ago
- A collection of research papers and software related to explainability in graph machine learning.☆1,985Apr 4, 2022Updated 4 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- TigerLily: Finding drug interactions in silico with the Graph.☆100Dec 17, 2022Updated 3 years ago
- Biobb_amber is a BioBB category for AMBER MD package.☆15Jun 2, 2026Updated last week
- Protein Graph Library☆1,172May 25, 2026Updated 2 weeks ago
- Multi-Hop Logical Reasoning in Knowledge Graphs☆20Mar 2, 2021Updated 5 years ago
- Going through a setting up a basic cheminformatics pipeline for the target EGFR☆19Apr 1, 2025Updated last year
- Here we develop the software for the method LDpredfunct described in https://www.biorxiv.org/content/early/2018/07/24/375337☆18Aug 30, 2024Updated last year
- PKSmart: Predicting PK properties using Chemical Structures☆21Sep 26, 2025Updated 8 months ago
- [Bioinformatics 2022] Cross-Modality and Self-Supervised Protein Embedding for Compound-Protein Affinity and Contact Prediction☆16Jun 6, 2024Updated 2 years ago
- Therapeutics Commons (TDC): Multimodal Foundation for Therapeutic Science☆1,254Jul 13, 2025Updated 10 months 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.
- [Bioinformatics 2021] This is the repo for the paper `SumGNN: Multi-typed Drug Interaction Prediction via Efficient Knowledge Graph Summa…☆91Jul 25, 2024Updated last year
- Research repository for the proposed equivariant graph attention network that operates on large biomolecules proposed by Le et al. (2022)☆20Dec 1, 2022Updated 3 years ago
- ☆13Aug 13, 2020Updated 5 years ago
- Auxiliary variable Markov chain Monte Carlo methods☆10Oct 24, 2017Updated 8 years ago
- Coarse-grained mapping and parametrisation for the Martini 3 forcefield☆23May 27, 2026Updated 2 weeks ago
- Disease pathways in the human interactome☆22Mar 20, 2018Updated 8 years ago
- ☆20Jun 21, 2022Updated 3 years ago
- A powerful and flexible machine learning platform for drug discovery☆1,583Aug 12, 2024Updated last year
- Implementation of trRosetta and trDesign for Pytorch, made into a convenient package, for protein structure prediction and design☆83Aug 27, 2021Updated 4 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- ☆10Aug 14, 2020Updated 5 years ago
- Using PubMed to find out how a gene contributes to addiction.☆20Dec 27, 2022Updated 3 years ago
- ☆10Apr 10, 2026Updated 2 months ago
- Tutorials for Squidpy☆34Dec 18, 2025Updated 5 months ago
- ☆74Jul 6, 2023Updated 2 years ago
- NeurIPS 2022 paper, SubHypergraph Inductive Neural nEtwork☆19Aug 4, 2023Updated 2 years ago
- Network-based project to explore gene connectivity through biological scales☆24Oct 21, 2024Updated last year