lishuya17 / MONN
MONN: a Multi-Objective Neural Network for Predicting Pairwise Non-Covalent Interactions and Binding Affinities between Compounds and Proteins
☆101Updated 4 years ago
Alternatives and similar repositories for MONN:
Users that are interested in MONN are comparing it to the libraries listed below
- a novel DTA predition method using graph neural network☆73Updated last year
- HyperAttentionDTI: improving drug–protein interaction prediction by sequence-based deep learning with attention mechanism. This repositor…☆41Updated 3 years ago
- Sequence-to-drug concept adds a perspective on drug design. It can serve as an alternative method to SBDD, particularly for proteins that…☆61Updated last year
- ☆50Updated 7 months ago
- ☆124Updated 2 years ago
- ☆43Updated last year
- K-BERT for molecular property prediction.☆29Updated 2 years ago
- ☆66Updated 4 years ago
- ☆45Updated 4 years ago
- ☆51Updated 8 months ago
- Diffusion model based protein-ligand flexible docking method☆102Updated 5 months ago
- A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.☆30Updated 2 years ago
- ☆179Updated 2 years ago
- 3D_Molecular_Generation☆85Updated 4 months ago
- ☆24Updated last year
- ☆82Updated 2 years ago
- Molecular vectorization and batch generation☆51Updated 4 years ago
- a deep learning architecture for protein-ligand binding affinity prediction☆73Updated last year
- ☆70Updated last year
- Graph variational encoders for drug engineering and potentiation☆29Updated last year
- MGA☆42Updated 4 years ago
- A PyTorch implementation of GCN with mutual attention for protein-protein interaction prediction☆60Updated 3 years ago
- ☆36Updated 10 months ago
- Pretrainable geometric graph neural network for antibody affinity maturation☆51Updated 2 weeks ago
- Interpretable bilinear attention network with domain adaptation improves drug-target prediction.☆118Updated 2 years ago
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆41Updated last year
- ☆57Updated last year
- DockStream: A Docking Wrapper to Enhance De Novo Molecular Design☆116Updated 2 years ago
- ☆108Updated 7 months ago
- Awesome De novo drugs design papers☆87Updated last year