MahaThafar / Affinity2VecLinks
Drug-target binding affinity prediction using representation learning, graph mining, and machine learning
☆25Updated 3 years ago
Alternatives and similar repositories for Affinity2Vec
Users that are interested in Affinity2Vec are comparing it to the libraries listed below
Sorting:
- HoTS: Sequence-based prediction of binding regions and drug-target interactions.☆28Updated 3 years ago
- A novel graph neural network strategy with the Vina distance optimization terms to predict protein-ligand binding affinity☆31Updated last year
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆14Updated 2 years ago
- PocketDTA☆37Updated last month
- DeepCDA☆15Updated 5 years ago
- AlphaDrug: Protein Target Specific De Novo Molecular Generation☆40Updated 3 years ago
- ☆28Updated 3 years ago
- ☆10Updated 2 years ago
- A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.☆33Updated 3 years ago
- ☆33Updated 3 years ago
- a method for CPI and DTA prediction☆11Updated 3 years ago
- ☆81Updated 2 years ago
- ☆17Updated 5 years ago
- Graph variational encoders for drug engineering and potentiation☆30Updated 2 years ago
- ☆28Updated 2 years ago
- Automatic extraction of interacting compound-target pairs from ChEMBL.☆21Updated 3 months ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated 7 months ago
- ☆11Updated 3 years ago
- Interface-aware molecular generative framework for protein-protein interaction modulators☆18Updated last year
- NodeCoder is a general framework based on graph convolutional neural network for protein function prediction.☆34Updated last year
- ☆40Updated 7 months ago
- ☆33Updated last year
- Autoregressive fragment-based diffusion for target-aware ligand design☆32Updated last year
- ☆41Updated 5 months ago
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆84Updated 3 months ago
- Pocket-Oriented Elaboration of Molecules: application to CDK8 inhibition☆14Updated 3 years ago
- Predicting protein-ligand binding sites using deep convolutional neural network☆50Updated last year
- Biosynthesis Navigator for Natural Products☆53Updated 3 years ago
- MGA☆44Updated 4 years ago
- ☆13Updated last year