CMACH508 / AlphaDrugLinks
AlphaDrug: Protein Target Specific De Novo Molecular Generation
☆40Updated 3 years ago
Alternatives and similar repositories for AlphaDrug
Users that are interested in AlphaDrug are comparing it to the libraries listed below
Sorting:
- ☆62Updated 3 years ago
- ☆28Updated 3 years ago
- Tailoring Molecules for Protein Pockets: a Transformer-based Generative Solution for Structured-based Drug Design☆20Updated 2 years ago
- A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.☆32Updated 2 years ago
- Drug-target binding affinity prediction using representation learning, graph mining, and machine learning☆25Updated 3 years ago
- ☆38Updated 4 months ago
- Official implementation for ActFound (Nature Machine Intelligence): A bioactivity foundation model using pairwise meta-learning☆44Updated last year
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆14Updated last year
- ☆34Updated last year
- ☆17Updated 2 years ago
- Autoregressive fragment-based diffusion for target-aware ligand design☆31Updated last year
- Improving protein–ligand docking and screening accuracies by incorporating a scoring function correction term☆29Updated 10 months ago
- Implementation of MolSearch paper☆22Updated 2 years ago
- DeepCDA☆15Updated 5 years ago
- ☆38Updated 4 years ago
- a method for CPI and DTA prediction☆11Updated 3 years ago
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆54Updated last year
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆32Updated 4 years ago
- A novel graph neural network strategy with the Vina distance optimization terms to predict protein-ligand binding affinity☆32Updated last year
- ☆12Updated 3 years ago
- ☆77Updated last year
- ☆40Updated 7 months ago
- Atom-in-SMILES tokenizer for SMILES strings.☆40Updated last year
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆69Updated last year
- ☆54Updated last year
- Pocket-Oriented Elaboration of Molecules: application to CDK8 inhibition☆14Updated 2 years ago
- MGA☆44Updated 4 years ago
- 🔥 PyTorch implementation of GNINA scoring function for molecular docking☆70Updated 7 months ago
- ☆38Updated 3 months ago
- Effective drug-target interaction prediction with mutual interaction neural network☆33Updated 3 years ago