zhaoqichang / AttentionDTA_TCBB
AttentionDTA: drug--target binding affinity prediction by sequence-based deep learning with attention mechanism
☆12Updated 3 years ago
Alternatives and similar repositories for AttentionDTA_TCBB:
Users that are interested in AttentionDTA_TCBB are comparing it to the libraries listed below
- ☆21Updated 3 years ago
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆15Updated last year
- ☆58Updated last year
- Graph variational encoders for drug engineering and potentiation☆29Updated last year
- MGA☆42Updated 4 years ago
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆41Updated last year
- ☆11Updated last year
- ☆24Updated last year
- ☆71Updated last year
- Effective drug-target interaction prediction with mutual interaction neural network☆32Updated 2 years ago
- Tool to design cyclic peptides that mimic proteins and target their binding partners.☆10Updated 9 months ago
- Implementation of CycPeptMP, an accurate and efficient model for predicting the membrane permeability of cyclic peptides☆21Updated last week
- ☆18Updated 2 years ago
- This is a GitHub Repository containing the data and code used for a thorough comparison of 11 ligand binding site prediction tools☆15Updated 4 months ago
- ☆28Updated last year
- Kinase–drug binding prediction with calibrated uncertainty quantification☆23Updated last year
- Official implementation for ActFound (Nature Machine Intelligence): A bioactivity foundation model using pairwise meta-learning☆41Updated 5 months ago
- Integrative modeling of PROTAC-mediated ternary complex☆26Updated 2 years ago
- ☆15Updated 3 years ago
- ☆34Updated last year
- HyperAttentionDTI: improving drug–protein interaction prediction by sequence-based deep learning with attention mechanism. This repositor…☆41Updated 3 years ago
- ☆40Updated last year
- A novel graph neural network strategy with the Vina distance optimization terms to predict protein-ligand binding affinity☆31Updated 11 months ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆29Updated 3 weeks ago
- K-BERT for molecular property prediction.☆29Updated 2 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…☆62Updated last year
- A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.☆30Updated 2 years ago
- ☆36Updated 10 months ago
- OnionNet-2 is constructed based on convolutional neural network (CNN) to predict the protein-ligand binding affinity.☆16Updated last year
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆44Updated last year