A novel graph neural network strategy with the Vina distance optimization terms to predict protein-ligand binding affinity
☆32May 16, 2024Updated 2 years ago
Alternatives and similar repositories for GraphscoreDTA
Users that are interested in GraphscoreDTA are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- MBP: Multi-task Bioassay Pre-training for Protein-Ligand Binding Affinity Prediction☆21Oct 15, 2024Updated last year
- AttentionDTA: drug--target binding affinity prediction by sequence-based deep learning with attention mechanism☆16Jan 27, 2022Updated 4 years ago
- A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.☆34Dec 1, 2022Updated 3 years ago
- GPCNDTA: prediction of drug-target binding affinity through cross-attention networks augmented with graph features and pharmacophores☆17Jan 19, 2025Updated last year
- ☆17Nov 19, 2023Updated 2 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.
- G-K BertDTA is a research tool facilitating drug-target interaction prediction. Leveraging multi-modal data integration and advanced mach…☆13Nov 22, 2023Updated 2 years ago
- ☆79Apr 7, 2026Updated last month
- Source code of paper: "MCANet: Shared-weight-based MultiheadCrossAttention network for drug-target interaction prediction"☆17Apr 10, 2023Updated 3 years ago
- ☆31Feb 22, 2022Updated 4 years ago
- DeepCDA☆15Mar 19, 2020Updated 6 years ago
- ☆39Jun 3, 2024Updated last year
- A Network Integration Approach for Drug-Target Interaction Prediction☆13Apr 5, 2025Updated last year
- 3DProtDTA: a deep learning model for drug-target affinity prediction based on residue-level protein graphs☆26Mar 31, 2023Updated 3 years ago
- ☆14Apr 10, 2024Updated 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.
- A graph transformer-based approach for drug-target interaction prediction☆15Jan 31, 2024Updated 2 years ago
- PocketDTA☆38Nov 21, 2025Updated 5 months ago
- ☆13Feb 7, 2023Updated 3 years ago
- a deep learning architecture for protein-ligand binding affinity prediction☆77Jan 21, 2024Updated 2 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 2 years ago
- A computational method to optimize degenerate codons for synthesizing an informed combinatorial mutagenesis protein variant library☆17Feb 18, 2025Updated last year
- GraphDTA: Predicting drug-target binding affinity with graph neural networks☆300Apr 13, 2021Updated 5 years ago
- ☆59Aug 23, 2024Updated last year
- The repository contains the data and the codes for the manuscript "Relational graph convolutional networks for predicting blood-brain bar…☆15May 21, 2025Updated 11 months 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.
- ☆18Apr 11, 2023Updated 3 years ago
- Official implementation for AAAI 2022 paper: "GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction".☆23Jul 11, 2022Updated 3 years ago
- ☆22May 24, 2024Updated last year
- Drug-target binding affinity prediction using representation learning, graph mining, and machine learning☆25Mar 21, 2022Updated 4 years ago
- A Python package for peptide sequence analysis built around ProForma 2.1 notation. Calculate masses, generate fragments, predict isotopic…☆17Apr 14, 2026Updated last month
- An Integrative Drug Repurposing Pipeline using KNIME and Programmatic Data Access: A case study on COVID-19 Data☆15Sep 29, 2020Updated 5 years ago
- NHGNN-DTA: A Node-adaptive Hybrid Graph Neural Network for Interpretable Drug-target Binding Affinity Prediction☆16Nov 14, 2023Updated 2 years ago
- ☆14Nov 5, 2024Updated last year
- CAPLA: improved prediction of protein-ligand binding affinity by a deep learning approach based on a cross-attention mechanism☆25Nov 9, 2022Updated 3 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.
- a novel DTA predition method using graph neural network☆76Jul 12, 2023Updated 2 years ago
- ☆22Oct 11, 2021Updated 4 years ago
- ☆10Jan 10, 2025Updated last year
- ☆17Apr 28, 2020Updated 6 years ago
- ☆25Mar 15, 2024Updated 2 years ago
- ET-Tox☆12Oct 4, 2024Updated last year
- Python scripts for molecular docking of molecules vs DUDE protein targets, using Vina☆24Apr 20, 2020Updated 6 years ago