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:
- ☆39Updated 6 months ago
- Implementation of MolSearch paper☆23Updated 2 years ago
- ☆31Updated 3 months ago
- ☆28Updated 3 years ago
- Autoregressive fragment-based diffusion for target-aware ligand design☆31Updated last year
- ☆26Updated 3 years ago
- ☆22Updated 3 years ago
- Implementation of the Kdeep Paper☆21Updated 4 years ago
- ☆41Updated 8 months ago
- ☆21Updated 2 years ago
- ☆24Updated this week
- ☆40Updated 5 years ago
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆32Updated 4 years ago
- ☆27Updated 2 years ago
- SIU: A Million-Scale Structural Small Molecule-Protein Interaction Dataset for Unbiased Bioactivity Prediction☆17Updated 9 months ago
- ☆17Updated 2 years ago
- Molecule Optimization via Fragment-based Generative Models☆42Updated 2 years ago
- Atom-in-SMILES tokenizer for SMILES strings.☆42Updated last year
- Optimization of binding affinities in chemical space for drug discovery☆35Updated 2 years ago
- ☆16Updated 4 years ago
- ☆32Updated 2 years ago
- ☆27Updated last year
- PoseX: A Molecular Docking Benchmark☆59Updated 5 months ago
- Zero-Shot 3D Drug Design by Sketching and Generating (NeurIPS 2022)☆35Updated 3 years ago
- ☆17Updated 3 years ago
- ☆25Updated last year
- Official implementation for ActFound (Nature Machine Intelligence): A bioactivity foundation model using pairwise meta-learning☆45Updated last year
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆35Updated last month
- ☆27Updated last year
- Improving protein–ligand docking and screening accuracies by incorporating a scoring function correction term☆29Updated last year