FangpingWan / DeepCPI
☆16Updated 4 years ago
Alternatives and similar repositories for DeepCPI:
Users that are interested in DeepCPI are comparing it to the libraries listed below
- A unified framework for predicting drug-target interactions, binding affinities and activation/inhibition mechanisms.☆20Updated last month
- DeepCDA☆13Updated 5 years ago
- Drug-target binding affinity prediction using representation learning, graph mining, and machine learning☆24Updated 3 years ago
- Zero-Shot 3D Drug Design by Sketching and Generating (NeurIPS 2022)☆32Updated 2 years ago
- Multi-Channel Deep Chemogenomic Modeling of Receptor-Ligand Binding Affinity Prediction for Drug Discovery☆27Updated 3 years ago
- ☆10Updated last year
- ☆38Updated 4 years ago
- Effective drug-target interaction prediction with mutual interaction neural network☆32Updated 2 years ago
- A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.☆30Updated 2 years ago
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆30Updated 3 years ago
- ☆34Updated 3 years ago
- AlphaDrug: Protein Target Specific De Novo Molecular Generation☆39Updated 2 years ago
- ☆28Updated 2 years ago
- Improving protein–ligand docking and screening accuracies by incorporating a scoring function correction term☆27Updated 3 months ago
- [Bioinformatics 2022] Cross-Modality and Self-Supervised Protein Embedding for Compound-Protein Affinity and Contact Prediction☆14Updated 9 months ago
- This repository provides an implementation of the DTiGEMSplus tool, a network-based method for computational Drug-Target Interaction pred…☆27Updated 3 years ago
- ☆31Updated last year
- ☆29Updated 4 years ago
- Quantitative Estimate Index for Early-Stage Screening of Compounds Targeting Protein-Protein Interactions☆18Updated last year
- ☆51Updated 7 months ago
- a method for CPI and DTA prediction☆10Updated 2 years ago
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆15Updated last year
- My (small) research project in solubility of drug-like molecules☆18Updated 4 years ago
- GraphSite: protein-DNA binding site prediction using graph transformer and predicted protein structures☆60Updated 7 months ago
- Pocket-Oriented Elaboration of Molecules: application to CDK8 inhibition☆14Updated 2 years ago
- Deep Generative Models for Drug Combination (Graph Set) Generation given Hierarchical Disease Network Embedding☆30Updated 2 years ago
- ☆27Updated 10 months ago
- MGA☆42Updated 4 years ago
- NodeCoder is a general framework based on graph convolutional neural network for protein function prediction.☆32Updated 10 months ago
- A surface-based deep learning approach for the prediction of ligand binding sites on proteins☆40Updated last year