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:
- DeepCDA☆15Updated 5 years ago
- A novel graph neural network strategy with the Vina distance optimization terms to predict protein-ligand binding affinity☆31Updated last year
- A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.☆33Updated 3 years ago
- ☆17Updated 5 years ago
- PocketDTA☆37Updated 2 months ago
- ☆32Updated last year
- ☆28Updated 3 years ago
- Improving protein–ligand docking and screening accuracies by incorporating a scoring function correction term☆29Updated last year
- AlphaDrug: Protein Target Specific De Novo Molecular Generation☆40Updated 3 years ago
- HoTS: Sequence-based prediction of binding regions and drug-target interactions.☆28Updated 3 years ago
- This is a machine-learning based protein-ligand scoring function.☆53Updated 5 years ago
- Code of our JC paper: "Structure-aware protein solubility prediction from sequence through graph convolutional network and predicted cont…☆76Updated 3 years ago
- HELM-GPT: de novo macrocyclic peptide design using generative pre-trained transformer☆30Updated last year
- Graph variational encoders for drug engineering and potentiation☆30Updated 2 years ago
- ☆33Updated 3 years ago
- A Python 3 version of the protein descriptor package propy☆48Updated 3 years ago
- ☆44Updated 6 months ago
- NodeCoder is a general framework based on graph convolutional neural network for protein function prediction.☆34Updated last year
- ☆82Updated 2 years ago
- ☆34Updated 2 years ago
- Biosynthesis Navigator for Natural Products☆54Updated 3 years ago
- Autoregressive fragment-based diffusion for target-aware ligand design☆32Updated last year
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆14Updated 2 years ago
- a deep learning architecture for protein-ligand binding affinity prediction☆76Updated 2 years ago
- ☆37Updated 5 years ago
- Official implementation for ActFound (Nature Machine Intelligence): A bioactivity foundation model using pairwise meta-learning☆45Updated last year
- Interpretable AI pipeline improving binding predictions for novel protein targets and ligands☆32Updated last year
- Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction☆35Updated 2 years ago
- ☆41Updated 2 years ago
- ☆28Updated 2 years ago