LBBSoft / DeepCDALinks
DeepCDA
☆15Updated 5 years ago
Alternatives and similar repositories for DeepCDA
Users that are interested in DeepCDA are comparing it to the libraries listed below
Sorting:
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆14Updated last year
- Effective drug-target interaction prediction with mutual interaction neural network☆33Updated 3 years ago
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆42Updated last year
- ☆38Updated 4 years ago
- The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.☆64Updated last year
- ☆28Updated 3 years ago
- ☆10Updated 2 years ago
- MGA☆44Updated 4 years ago
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆61Updated 3 months ago
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆47Updated 2 years ago
- ☆25Updated last year
- Autoregressive fragment-based diffusion for target-aware ligand design☆31Updated last year
- Predicting protein-ligand binding sites using deep convolutional neural network☆51Updated last year
- Graph variational encoders for drug engineering and potentiation☆30Updated 2 years ago
- Drug-target binding affinity prediction using representation learning, graph mining, and machine learning☆25Updated 3 years ago
- ☆55Updated last year
- A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.☆32Updated 2 years ago
- ☆33Updated last year
- ☆48Updated last year
- AlphaDrug: Protein Target Specific De Novo Molecular Generation☆40Updated 3 years ago
- 3D-MCTS: A general structure-based molecule generation method with MCTS.☆44Updated last year
- Molecule Optimization via Fragment-based Generative Models☆42Updated 2 years ago
- Automatic Fragment Linking with Deep Conditional Transformer Neural Networks☆56Updated 3 years ago
- ☆12Updated 3 years ago
- Interpretable AI pipeline improving binding predictions for novel protein targets and ligands☆30Updated last year
- ☆17Updated 2 years ago
- ☆40Updated 7 months ago
- A surface-based deep learning approach for the prediction of ligand binding sites on proteins☆44Updated 2 years ago
- This is a machine-learning based protein-ligand scoring function.☆52Updated 5 years ago
- Pocket-Oriented Elaboration of Molecules: application to CDK8 inhibition☆14Updated 2 years ago