JiahaoXY / MMSG-DTALinks
☆9Updated 7 months ago
Alternatives and similar repositories for MMSG-DTA
Users that are interested in MMSG-DTA are comparing it to the libraries listed below
Sorting:
- ☆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!☆22Updated 2 years ago
- NHGNN-DTA: A Node-adaptive Hybrid Graph Neural Network for Interpretable Drug-target Binding Affinity Prediction☆16Updated last year
- rdkit总结与实践☆237Updated 5 years ago
- AttentionDTA: drug--target binding affinity prediction by sequence-based deep learning with attention mechanism☆13Updated 3 years ago
- ☆14Updated 7 months ago
- Pytorch Implementation of the original DeepDTA paper (https://github.com/hkmztrk/DeepDTA/)☆12Updated 8 months ago
- ☆186Updated 2 years ago
- ☆38Updated last year
- ☆67Updated 2 years ago
- ☆34Updated 2 years ago
- ☆45Updated last year
- Sequence-to-drug concept adds a perspective on drug design. It can serve as an alternative method to SBDD, particularly for proteins that…☆70Updated 2 years ago
- ☆8Updated 3 months ago
- ☆53Updated 11 months ago
- ☆122Updated last year
- ☆10Updated last year
- Official implementation for AAAI 2022 paper: "GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction".☆22Updated 3 years ago
- GPCNDTA: prediction of drug-target binding affinity through cross-attention networks augmented with graph features and pharmacophores☆17Updated 6 months ago
- ☆163Updated 3 years ago
- Descriptor computation(chemistry) and (optional) storage for machine learning☆265Updated 9 months ago
- ☆13Updated 4 years ago
- A convolutional neural network predicts the toxicity of a drug based on its molecular structure.☆14Updated 6 years ago
- 3D_Molecular_Generation☆98Updated 8 months ago
- A package to identify matched molecular pairs and use them to predict property changes.☆242Updated 2 months ago
- codes for KPGT (Knowledge-guided Pre-training of Graph Transformer)☆114Updated 10 months ago
- structure-based explanation methods☆27Updated last year
- ☆25Updated 2 years ago
- K-BERT for molecular property prediction.☆30Updated 3 years ago
- ☆159Updated 2 years ago