LBBSoft / DeepCDA
DeepCDA
☆13Updated 4 years ago
Alternatives and similar repositories for DeepCDA:
Users that are interested in DeepCDA are comparing it to the libraries listed below
- ☆10Updated last year
- ☆29Updated 10 months ago
- ☆28Updated 2 years ago
- Effective drug-target interaction prediction with mutual interaction neural network☆32Updated 2 years ago
- Pocket-Oriented Elaboration of Molecules: application to CDK8 inhibition☆14Updated 2 years ago
- ☆15Updated 2 years ago
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆11Updated last year
- Quantitative Estimate Index for Early-Stage Screening of Compounds Targeting Protein-Protein Interactions☆18Updated last year
- ☆56Updated 11 months ago
- ☆15Updated 3 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…☆44Updated last year
- ☆23Updated 7 months ago
- Integrative modeling of PROTAC-mediated ternary complex☆24Updated 2 years ago
- Learning Protein-Ligand Properties with Atomic Environment Vectors☆10Updated 10 months ago
- ProCare: A Point Cloud Registration Approach to Align Protein Cavities☆29Updated 2 years ago
- ☆12Updated 3 years ago
- ☆31Updated last year
- ☆26Updated last year
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆39Updated last year
- Optimization of binding affinities in chemical space for drug discovery☆36Updated 2 years ago
- A novel graph neural network strategy with the Vina distance optimization terms to predict protein-ligand binding affinity☆29Updated 9 months ago
- ☆12Updated 2 years ago
- ☆36Updated 3 years ago
- Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction☆31Updated last year
- ☆31Updated 10 months ago
- Source code and data of the paper entitled "iCYP-MFE: Identifying Human Cytochrome P450 Inhibitors using Multi-task Learning and Molecula…☆16Updated last year
- Graph variational encoders for drug engineering and potentiation☆29Updated last year
- MGA☆42Updated 4 years ago
- ☆13Updated 2 years ago