HankerWu / TamGentLinks
Tailoring Molecules for Protein Pockets: a Transformer-based Generative Solution for Structured-based Drug Design
☆20Updated 2 years ago
Alternatives and similar repositories for TamGent
Users that are interested in TamGent are comparing it to the libraries listed below
Sorting:
- ☆40Updated 6 months ago
- Autoregressive fragment-based diffusion for target-aware ligand design☆32Updated last year
- Implementation of MolSearch paper☆23Updated 2 years ago
- ☆28Updated 3 years ago
- ☆26Updated 3 years ago
- ☆41Updated 9 months ago
- Molecule Optimization via Fragment-based Generative Models☆42Updated 2 years ago
- ☆22Updated 3 years ago
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆32Updated 4 years ago
- ☆17Updated 2 years ago
- ☆41Updated 5 years ago
- Zero-Shot 3D Drug Design by Sketching and Generating (NeurIPS 2022)☆35Updated 3 years ago
- ☆31Updated 4 months ago
- SIU: A Million-Scale Structural Small Molecule-Protein Interaction Dataset for Unbiased Bioactivity Prediction☆17Updated 10 months ago
- Atom-in-SMILES tokenizer for SMILES strings.☆42Updated last year
- ☆16Updated 4 years ago
- ☆22Updated 2 years ago
- ☆24Updated 3 weeks ago
- Optimization of binding affinities in chemical space for drug discovery☆35Updated 2 years ago
- ☆32Updated 2 years ago
- ☆27Updated last year
- Implementation of the Kdeep Paper☆21Updated 4 years ago
- ☆27Updated 2 years ago
- Structure-based drug design based on Retrieval Augmented Generation☆24Updated last month
- Improving protein–ligand docking and screening accuracies by incorporating a scoring function correction term☆29Updated last year
- ☆26Updated last year
- RINGER: Rapid Conformer Generation for Macrocycles with Sequence-Conditioned Internal Coordinate Diffusion☆21Updated last year
- Interpretable AI pipeline improving binding predictions for novel protein targets and ligands☆31Updated last year
- ☆31Updated last year
- Benchmarking compound activity prediction for real-world drug discovery applications☆14Updated last year