AspirinCode / TransAntivirusLinks
Transformer-based molecular generative model for antiviral drug design
☆16Updated last year
Alternatives and similar repositories for TransAntivirus
Users that are interested in TransAntivirus are comparing it to the libraries listed below
Sorting:
- ☆39Updated last year
- ☆25Updated 2 months ago
- Autoregressive fragment-based diffusion for target-aware ligand design☆32Updated last year
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆46Updated last week
- ☆31Updated 5 months ago
- Source code accompanying the 'MF-PCBA: Multi-fidelity high-throughput screening benchmarks for drug discovery and machine learning' paper☆31Updated 6 months ago
- Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse☆12Updated last year
- Fragment-based Molecular Expansion☆27Updated 2 years ago
- ☆56Updated 2 months ago
- Diffusion-based molecule conformer generation☆45Updated last year
- ☆54Updated 8 months ago
- ☆51Updated last year
- ☆14Updated last year
- Code Space of SynLlama☆43Updated last month
- A Multi-Task Generative model for Structure-Based Drug Design☆58Updated this week
- ProCare: A Point Cloud Registration Approach to Align Protein Cavities☆30Updated 3 years ago
- ☆26Updated last year
- Small molecules discovery with different active deep learning strategies. Codebase for the paper: "Traversing chemical space with active …☆28Updated last year
- A Deep-learning Driven Predictor of Compound Synthesis Accessibility☆40Updated 8 months ago
- POLYGON VAE For de novo Polypharmacology☆42Updated 11 months ago
- ☆35Updated 2 months ago
- ☆17Updated 2 years ago
- Kinase–drug binding prediction with calibrated uncertainty quantification☆23Updated 2 years ago
- Benchmarking compound activity prediction for real-world drug discovery applications☆14Updated last year
- This is a GitHub Repository containing the data and code used for a thorough comparison of 11 ligand binding site prediction tools☆17Updated last year
- Interpretable AI pipeline improving binding predictions for novel protein targets and ligands☆32Updated last year
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆31Updated 10 months ago
- ☆15Updated 3 years ago
- ☆37Updated last year
- Scaffold decoration and fragment linking with chemical language models and RL☆26Updated 10 months ago