masashitsubaki / CPI_predictionLinks
This is a code for compound-protein interaction (CPI) prediction based on a graph neural network (GNN) for compounds and a convolutional neural network (CNN) for proteins.
☆162Updated 4 years ago
Alternatives and similar repositories for CPI_prediction
Users that are interested in CPI_prediction are comparing it to the libraries listed below
Sorting:
- Protein-compound affinity prediction through unified RNN-CNN☆147Updated 10 months ago
- GraphDTA: Predicting drug-target binding affinity with graph neural networks☆253Updated 4 years ago
- MolTrans: Molecular Interaction Transformer for Drug Target Interaction Prediction (Bioinformatics)☆209Updated 2 years ago
- Source code for "DeepDTA: deep drug-target binding affinity prediction"☆254Updated last year
- a novel DTA predition method using graph neural network☆74Updated last year
- Protein Interface Prediction using Graph Convolutional Networks☆93Updated 4 years ago
- TransformerCPI: Improving compound–protein interaction prediction by sequence-based deep learning with self-attention mechanism and label…☆144Updated 2 years ago
- MONN: a Multi-Objective Neural Network for Predicting Pairwise Non-Covalent Interactions and Binding Affinities between Compounds and Pro…☆102Updated 4 years ago
- Generative Models for Graph-Based Protein Design☆277Updated 4 years ago
- NeoDTI: Neural integration of neighbor information from a heterogeneous network for discovering new drug-target interactions☆77Updated 4 years ago
- ☆183Updated 2 years ago
- Codes and models for the paper "Learning Unknown from Correlations: Graph Neural Network for Inter-novel-protein Interaction Prediction".☆80Updated 3 years ago
- Literature of deep learning for graphs in Chemistry and Biology☆200Updated 4 years ago
- DeepConv-DTI: Prediction of drug-target interactions via deep learning with convolution on protein sequences☆75Updated 3 years ago
- This is the repository containing the source code for my Master's thesis research, about predicting drug-target interaction using deep le…☆42Updated 5 years ago
- This is the repository for PIPR. This repository contains the source code and links to some datasets used in the ISMB/ECCB-2019 paper "Mu…☆99Updated 2 years ago
- machine learning, molecular descriptor☆113Updated 2 years ago
- Predicting Drug Protein Interaction using Quasi-Visual Question Answering System☆121Updated 10 months ago
- A tensorflow.keras generative neural network for de novo drug design, first-authored in Nature Machine Intelligence while working at Astr…☆188Updated 2 years ago
- a deep learning architecture for protein-ligand binding affinity prediction☆74Updated last year
- Interpretable bilinear attention network with domain adaptation improves drug-target prediction.☆121Updated 2 years ago
- ProteinGCN: Protein model quality assessment using Graph Convolutional Networks☆117Updated 10 months ago
- Graph neural network (GNN) for molecular property prediction (3D structure)☆98Updated 4 years ago
- HyperAttentionDTI: improving drug–protein interaction prediction by sequence-based deep learning with attention mechanism. This repositor…☆43Updated 3 years ago
- Graph Network for protein-protein interface☆120Updated last year
- A PyTorch implementation of GCN with mutual attention for protein-protein interaction prediction☆61Updated 3 years ago
- ☆51Updated 9 months ago
- A Network Integration Approach for Drug-Target Interaction Prediction☆181Updated 2 years ago
- Mol2vec - an unsupervised machine learning approach to learn vector representations of molecular substructures☆266Updated 2 years ago
- Algorithms for prediction of drug-target interactions via computational (chemogenomic) methods☆45Updated 6 years ago