NHGNN-DTA: A Node-adaptive Hybrid Graph Neural Network for Interpretable Drug-target Binding Affinity Prediction
☆16Nov 14, 2023Updated 2 years ago
Alternatives and similar repositories for NHGNN-DTA
Users that are interested in NHGNN-DTA are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- 3DProtDTA: a deep learning model for drug-target affinity prediction based on residue-level protein graphs☆27Mar 31, 2023Updated 3 years ago
- ☆11Apr 11, 2023Updated 3 years ago
- DeepDrugDomain: A versatile Python toolkit for streamlined preprocessing and accurate prediction of drug-target interactions and binding …☆29Oct 22, 2024Updated last year
- Drug Target Interaction Prediction Using Protein Binding Sites And Drug Fragments☆13Aug 11, 2025Updated 11 months ago
- GraphDTA: Predicting drug-target binding affinity with graph neural networks☆306Apr 13, 2021Updated 5 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Pipeline to calculate icSHAPE score in genome with sliding window strategy☆13Aug 23, 2022Updated 3 years ago
- pytorch-version implementation codes of some CV attention models☆17Mar 9, 2021Updated 5 years ago
- a method for CPI and DTA prediction☆11Jun 18, 2022Updated 4 years ago
- Code of "Instruction Multi-Constraint Molecular Generation Using a Teacher-Student Large Language Model"☆13Jul 8, 2025Updated last year
- ☆17Dec 12, 2017Updated 8 years ago
- VenomPred 2.0 API☆11Jul 7, 2026Updated 3 weeks ago
- ☆10Oct 31, 2025Updated 8 months ago
- ☆13Dec 6, 2022Updated 3 years ago
- The code corresponding to Transfer Learning for a Foundational Chemistry Model☆14Dec 5, 2023Updated 2 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- ☆14Jan 18, 2024Updated 2 years ago
- A novel graph neural network strategy with the Vina distance optimization terms to predict protein-ligand binding affinity☆32May 16, 2024Updated 2 years ago
- ☆10Feb 21, 2022Updated 4 years ago
- MolKGNN is a deep learning model for predicting biological activity or molecular properties. It features in 1. SE(3)-invariance 2. confor…☆14Jan 22, 2024Updated 2 years ago
- ☆11Sep 23, 2024Updated last year
- This is The repository for Paper "AttentionSiteDTI: Attention Based Model for Predicting Drug-Target Interaction Using Graph Representati…☆46Dec 8, 2023Updated 2 years ago
- Fragment Linker Prediction Using Deep Encoder-Decoder Network for PROTAC Drug Design☆13Oct 2, 2023Updated 2 years ago
- ☆13May 21, 2024Updated 2 years ago
- ☆15Aug 26, 2024Updated last year
- 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.
- Benchmarking active learning protocols for ligand binding affinity prediction☆13Feb 4, 2024Updated 2 years ago
- ☆13Nov 1, 2023Updated 2 years ago
- The official implementation of the paper "MotifRetro: Exploring the Combinability-Consistency Trade-offs in retrosynthesis via Dynamic Mo…☆11Jun 25, 2023Updated 3 years ago
- Official implementation of DrugGEN in PyTorch☆12Oct 27, 2023Updated 2 years ago
- ☆14Jan 8, 2025Updated last year
- GRENADE: Graph-Centric Language Model for Self-Supervised Representation Learning on Text-Attributed Graphs☆16Jan 6, 2025Updated last year
- 一些资源☆10Sep 20, 2024Updated last year
- A unified framework for predicting drug-target interactions, binding affinities and activation/inhibition mechanisms.☆57Jul 21, 2025Updated last year
- ☆13Feb 24, 2021Updated 5 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.
- ☆12Nov 30, 2023Updated 2 years ago
- Physico-chemical and biological property prediction for small molecules☆12May 3, 2022Updated 4 years ago
- ☆18Feb 2, 2026Updated 5 months ago
- ☆14Jun 16, 2020Updated 6 years ago
- Pocket-Oriented Elaboration of Molecules: application to CDK8 inhibition☆14Dec 30, 2022Updated 3 years ago
- FuncFetch workflow scripts☆15Jun 9, 2025Updated last year
- a deep learning architecture for RNA-ligand binding sites prediction☆18Jan 21, 2024Updated 2 years ago