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:
- ☆65Updated 3 years ago
- A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.☆33Updated 3 years ago
- ☆18Updated 2 years ago
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆14Updated 2 years ago
- ☆34Updated 2 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
- Autoregressive fragment-based diffusion for target-aware ligand design☆32Updated last year
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆32Updated 4 years ago
- DeepCDA☆15Updated 5 years ago
- ☆40Updated 7 months ago
- Implementation of MolSearch paper☆23Updated 2 years ago
- A unified framework for predicting drug-target interactions, binding affinities and activation/inhibition mechanisms.☆53Updated 6 months ago
- source code for deppHop☆37Updated 3 years ago
- ☆55Updated last year
- Drug-target binding affinity prediction using representation learning, graph mining, and machine learning☆25Updated 3 years ago
- Official implementation for ActFound (Nature Machine Intelligence): A bioactivity foundation model using pairwise meta-learning☆45Updated last year
- Improving protein–ligand docking and screening accuracies by incorporating a scoring function correction term☆29Updated last year
- ☆17Updated 5 years ago
- PocketDTA☆37Updated 2 months ago
- NodeCoder is a general framework based on graph convolutional neural network for protein function prediction.☆34Updated last year
- Interface-aware molecular generative framework for protein-protein interaction modulators☆18Updated last year
- A novel graph neural network strategy with the Vina distance optimization terms to predict protein-ligand binding affinity☆31Updated last year
- ☆37Updated 5 years ago
- A python package for computer-aid drug design.☆42Updated 2 months ago
- Effective drug-target interaction prediction with mutual interaction neural network☆33Updated 3 years ago
- Predicting protein-ligand binding sites using deep convolutional neural network☆50Updated last year
- ☆28Updated 2 years ago
- Fragment-based Molecular Expansion☆27Updated 2 years ago
- HoTS: Sequence-based prediction of binding regions and drug-target interactions.☆28Updated 3 years ago