FangpingWan / DeepCPI
☆14Updated 4 years ago
Related projects ⓘ
Alternatives and complementary repositories for DeepCPI
- Multi-Channel Deep Chemogenomic Modeling of Receptor-Ligand Binding Affinity Prediction for Drug Discovery☆27Updated 3 years ago
- ☆13Updated 2 years ago
- ☆31Updated 3 years ago
- DeepCDA☆12Updated 4 years ago
- This repository provides an implementation of the DTiGEMSplus tool, a network-based method for computational Drug-Target Interaction pred…☆27Updated 3 years ago
- NodeCoder is a general framework based on graph convolutional neural network for protein function prediction.☆31Updated 6 months ago
- HoTS: Sequence-based prediction of binding regions and drug-target interactions.☆25Updated 2 years ago
- ☆16Updated 3 years ago
- ☆29Updated 4 years ago
- Drug-target binding affinity prediction using representation learning, graph mining, and machine learning☆24Updated 2 years ago
- a method for CPI and DTA prediction☆9Updated 2 years ago
- ☆31Updated last year
- Deep Generative Models for Drug Combination (Graph Set) Generation given Hierarchical Disease Network Embedding☆30Updated last year
- AlphaDrug: Protein Target Specific De Novo Molecular Generation☆36Updated 2 years ago
- ☆75Updated 2 years ago
- ☆19Updated last year
- A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.☆29Updated last year
- DeepGS: Deep Representation Learning of Graphs and Sequences for Drug-Target Binding Affinity Prediction (ECAI 2020)☆26Updated 4 years ago
- A novel graph neural network strategy with the Vina distance optimization terms to predict protein-ligand binding affinity☆25Updated 6 months ago
- GraphSite: protein-DNA binding site prediction using graph transformer and predicted protein structures☆58Updated 3 months ago
- ☆36Updated 3 years ago
- Implementation of MolSearch paper☆22Updated last year
- ☆26Updated 11 months ago
- [Bioinformatics 2022] Cross-Modality and Self-Supervised Protein Embedding for Compound-Protein Affinity and Contact Prediction☆12Updated 5 months ago
- Zero-Shot 3D Drug Design by Sketching and Generating (NeurIPS 2022)☆32Updated 2 years ago
- Pocket-Oriented Elaboration of Molecules: application to CDK8 inhibition☆14Updated last year
- a deep learning architecture for protein-ligand binding affinity prediction☆64Updated 10 months ago
- a fast and accurate physical energy function extended from EvoEF for protein sequence design☆25Updated last year
- Deep transformer for predicting interchain residue-residue distances of protein complexes☆12Updated 8 months ago
- ☆10Updated 4 years ago