hehh77 / NHGNN-DTA
NHGNN-DTA: A Node-adaptive Hybrid Graph Neural Network for Interpretable Drug-target Binding Affinity Prediction
☆16Updated last year
Alternatives and similar repositories for NHGNN-DTA:
Users that are interested in NHGNN-DTA are comparing it to the libraries listed below
- Sequence-to-drug concept adds a perspective on drug design. It can serve as an alternative method to SBDD, particularly for proteins that…☆59Updated last year
- ☆46Updated 5 months ago
- 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!☆18Updated last year
- ☆55Updated last year
- ☆41Updated last year
- 3D_Molecular_Generation☆81Updated 2 months ago
- 3DProtDTA: a deep learning model for drug-target affinity prediction based on residue-level protein graphs☆18Updated last year
- MGA☆42Updated 4 years ago
- ☆59Updated last year
- Graph variational encoders for drug engineering and potentiation☆28Updated last year
- K-BERT for molecular property prediction.☆29Updated 2 years ago
- ☆15Updated 8 months ago
- ☆38Updated last year
- A novel graph neural network strategy with the Vina distance optimization terms to predict protein-ligand binding affinity☆29Updated 8 months ago
- Code for "An adaptive graph learning method for automated molecular interactions and properties predictions".☆40Updated 2 years ago
- ☆100Updated 5 months ago
- This is The repository for Paper "AttentionSiteDTI: Attention Based Model for Predicting Drug-Target Interaction Using Graph Representati…☆43Updated last year
- GPCNDTA: prediction of drug-target binding affinity through cross-attention networks augmented with graph features and pharmacophores☆17Updated last week
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆38Updated last year
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆45Updated 2 months ago
- ☆10Updated last year
- A ligand-and-structure dual-driven deep reinforcement learning method for target-specific molecular generation☆35Updated last year
- ☆93Updated last year
- Official implementation for AAAI 2022 paper: "GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction".☆19Updated 2 years ago
- HyperAttentionDTI: improving drug–protein interaction prediction by sequence-based deep learning with attention mechanism. This repositor…☆39Updated 3 years ago
- ☆24Updated 10 months ago
- ☆48Updated last year
- Code for "FG-BERT: A Self-Supervised Molecular Representation Learning Method Based on Functional Groups"☆26Updated last year
- A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.☆30Updated 2 years ago
- ☆11Updated last year