小白入门DTA方向，GraphDTA作为经典的DTA模型，对于python基础不好，深度学习代码实操不强者，本github将代码细致的进行注释阐述，旨在记录学习过程，帮助更多入门者尽快入门！
☆28Mar 21, 2023Updated 3 years ago
Alternatives and similar repositories for Demo-GraphDTA-
Users that are interested in Demo-GraphDTA- are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- PocketDTA☆42Nov 21, 2025Updated 11 months ago
- GraphDTA: Predicting drug-target binding affinity with graph neural networks☆310Apr 13, 2021Updated 5 years ago
- MulinforCPI: enhancing precision of compound-protein interaction prediction through novel perspectives on multi-level information integra…☆10Jun 20, 2024Updated 2 years ago
- Source code for "DeepDTA: deep drug-target binding affinity prediction"☆311Sep 22, 2023Updated 3 years ago
- Sequence-to-drug concept adds a perspective on drug design. It can serve as an alternative method to SBDD, particularly for proteins that…☆78Jul 20, 2023Updated 3 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- ☆13Feb 24, 2021Updated 5 years ago
- Supporting Information for "Prediction of Organic Compound Aqueous Solubility Using Interpretable Machine Learning"☆13Jun 5, 2023Updated 3 years ago
- ☆10Aug 20, 2023Updated 3 years ago
- DeepCDA☆15Mar 19, 2020Updated 6 years ago
- AttentionDTA: drug--target binding affinity prediction by sequence-based deep learning with attention mechanism☆18Jan 27, 2022Updated 4 years ago
- CardioGenAI: A Machine Learning-Based Framework for Re-Engineering Drugs for Reduced hERG Liability☆11Jul 14, 2024Updated 2 years ago
- ☆59Aug 23, 2024Updated 2 years ago
- NHGNN-DTA: A Node-adaptive Hybrid Graph Neural Network for Interpretable Drug-target Binding Affinity Prediction☆16Nov 14, 2023Updated 2 years ago
- a novel DTA predition method using graph neural network☆78Jul 12, 2023Updated 3 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- batch-backtracking subgraph matching☆10Oct 22, 2026Updated 2 weeks ago
- ☆21Dec 11, 2023Updated 2 years ago
- ☆71Mar 13, 2023Updated 3 years ago
- DTITR: End-to-End Drug-Target Binding Affinity Prediction with Transformers☆15Nov 8, 2023Updated 3 years ago
- ☆27Apr 2, 2024Updated 2 years ago
- TransformerCPI: Improving compound–protein interaction prediction by sequence-based deep learning with self-attention mechanism and label…☆159Jun 30, 2022Updated 4 years ago
- Virtual screening approach for fragments selection and merging to lead-like compounds☆13Aug 20, 2021Updated 5 years ago
- SSGCN☆11Jul 23, 2020Updated 6 years ago
- The official PyTorch implementation of SMICLR: Contrastive Learning on Multiple Molecular Representations for Semisupervised and Unsuperv…☆12Sep 7, 2025Updated last year
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- Tree-Invent: A novel molecular generative model constrained with topological tree☆14Jul 26, 2023Updated 3 years ago
- ☆19Feb 2, 2026Updated 9 months ago
- ☆11Aug 18, 2026Updated 2 months ago
- ☆21Aug 22, 2022Updated 4 years ago
- ☆11Aug 29, 2025Updated last year
- ☆17Jun 12, 2026Updated 4 months ago
- Implementation of GEFA: Early Fusion Approach in Drug-Target Affinity Prediction☆22Sep 30, 2020Updated 6 years ago
- K-BERT for molecular property prediction.☆31Jul 25, 2022Updated 4 years ago
- Chemical Science 2023: An equivariant generative framework for molecular graph-structure Co-design☆10Jun 18, 2023Updated 3 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- 3DProtDTA: a deep learning model for drug-target affinity prediction based on residue-level protein graphs☆27Mar 31, 2023Updated 3 years ago
- ☆12Jul 2, 2024Updated 2 years ago
- Bioinformatics'2022 PerceiverCPI: A nested cross-attention network for compound-protein interaction prediction☆40Nov 9, 2023Updated 3 years ago
- BrainPepPass: A framework based on supervised dimensionality reduction for predicting blood-brain barrier-penetrating peptides.☆12Jun 5, 2023Updated 3 years ago
- The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.☆72Nov 20, 2023Updated 2 years ago
- scKAN: Interpretable Single-cell Analysis for Cell-type-specific Gene Discovery and Drug Repurposing via Kolmogorov-Arnold Networks☆12Sep 25, 2025Updated last year
- Source code and datasets for HTINet2 published on BIB.☆10Sep 6, 2024Updated 2 years ago
Are these results useful?