zhaolongNCU / Demo-GraphDTA-
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!
☆22Updated 2 years ago
Alternatives and similar repositories for Demo-GraphDTA-
Users that are interested in Demo-GraphDTA- 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…☆66Updated last year
- ☆50Updated 8 months ago
- ☆66Updated 2 years ago
- K-BERT for molecular property prediction.☆30Updated 2 years ago
- ☆36Updated 11 months ago
- ☆10Updated 3 years ago
- ☆10Updated last year
- ☆47Updated last year
- HyperAttentionDTI: improving drug–protein interaction prediction by sequence-based deep learning with attention mechanism. This repositor…☆43Updated 3 years ago
- ☆112Updated 9 months ago
- a novel DTA predition method using graph neural network☆74Updated last year
- Pytorch Implementation of the original DeepDTA paper (https://github.com/hkmztrk/DeepDTA/)☆9Updated 5 months ago
- codes for KPGT (Knowledge-guided Pre-training of Graph Transformer)☆109Updated 8 months ago
- A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.☆30Updated 2 years ago
- ☆58Updated last year
- ☆21Updated 11 months ago
- Official implementation for AAAI 2022 paper: "GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction".☆22Updated 2 years ago
- ☆44Updated last year
- Effective drug-target interaction prediction with mutual interaction neural network☆32Updated 3 years ago
- 3D_Molecular_Generation☆89Updated 5 months ago
- MGA☆42Updated 4 years ago
- Graph variational encoders for drug engineering and potentiation☆29Updated last year
- Geometry Deep Learning for Drug Discovery and Life Science☆68Updated last year
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆50Updated last month
- MONN: a Multi-Objective Neural Network for Predicting Pairwise Non-Covalent Interactions and Binding Affinities between Compounds and Pro…☆101Updated 4 years ago
- ☆26Updated last year
- Multi_CycGT: A DL-Based Multimodal Model for Membrane Permeability Prediction of Cyclic Peptides☆13Updated 4 months ago
- ☆34Updated 11 months ago
- ☆100Updated 2 years ago
- GPCNDTA: prediction of drug-target binding affinity through cross-attention networks augmented with graph features and pharmacophores☆17Updated 3 months ago