hehh77 / NHGNN-DTALinks
NHGNN-DTA: A Node-adaptive Hybrid Graph Neural Network for Interpretable Drug-target Binding Affinity Prediction
☆16Updated 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
Sorting:
- Sequence-to-drug concept adds a perspective on drug design. It can serve as an alternative method to SBDD, particularly for proteins that…☆77Updated 2 years ago
- ☆58Updated last year
- ☆10Updated 4 years 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!☆25Updated 2 years ago
- 3D_Molecular_Generation☆100Updated last year
- ☆49Updated 2 years ago
- MGA☆44Updated 4 years ago
- ☆46Updated 2 years ago
- ☆67Updated 2 years ago
- ☆70Updated last year
- Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.☆92Updated last month
- Graph variational encoders for drug engineering and potentiation☆30Updated 2 years ago
- ☆127Updated last year
- AttentionDTA: drug--target binding affinity prediction by sequence-based deep learning with attention mechanism☆15Updated 3 years ago
- ☆26Updated last year
- ☆109Updated 2 years ago
- ☆16Updated last year
- Code for "FG-BERT: A Self-Supervised Molecular Representation Learning Method Based on Functional Groups"☆29Updated last year
- Pytorch Implementation of the original DeepDTA paper (https://github.com/hkmztrk/DeepDTA/)☆14Updated 11 months ago
- structure-based explanation methods☆28Updated last year
- ☆54Updated 3 weeks ago
- 3DProtDTA: a deep learning model for drug-target affinity prediction based on residue-level protein graphs☆25Updated 2 years ago
- ☆61Updated 2 years ago
- A novel graph neural network strategy with the Vina distance optimization terms to predict protein-ligand binding affinity☆31Updated last year
- ☆21Updated last year
- K-BERT for molecular property prediction.☆31Updated 3 years ago
- Official implementation for AAAI 2022 paper: "GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction".☆22Updated 3 years ago
- a multi-property optimization method.☆32Updated 11 months ago
- [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening☆118Updated this week
- The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.☆65Updated 2 years ago