AspirinCode / TransAntivirus
Transformer-based molecular generative model for antiviral drug design
☆16Updated 5 months ago
Alternatives and similar repositories for TransAntivirus
Users that are interested in TransAntivirus are comparing it to the libraries listed below
Sorting:
- ☆33Updated 10 months ago
- ☆24Updated 4 months ago
- ☆48Updated 4 months ago
- Fragment-based Molecular Expansion☆20Updated last year
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆33Updated 3 weeks ago
- ProCare: A Point Cloud Registration Approach to Align Protein Cavities☆29Updated 2 years ago
- Autoregressive fragment-based diffusion for target-aware ligand design☆29Updated 11 months ago
- This is a GitHub Repository containing the data and code used for a thorough comparison of 11 ligand binding site prediction tools☆15Updated 5 months ago
- Kinase–drug binding prediction with calibrated uncertainty quantification☆23Updated last year
- Python package for InfoAlign☆12Updated 7 months ago
- ☆20Updated 2 years ago
- ☆42Updated last week
- ☆25Updated 10 months ago
- ☆33Updated last month
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆24Updated last month
- ☆22Updated 8 months ago
- Official implementation of SketchMol.☆23Updated 3 months ago
- ☆37Updated 2 weeks ago
- Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…☆64Updated 3 weeks ago
- ☆26Updated 2 years ago
- Target-aware Variational Auto-encoders for Ligand Generation with Multimodal Protein Representation Learning☆30Updated last year
- ☆32Updated 2 years ago
- Diffusion-based molecule conformer generation☆40Updated last year
- few-shot compound activity regression☆13Updated 8 months ago
- A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening☆25Updated last month
- ☆16Updated 2 years ago
- Offical repository for the paper "Llamol: a dynamic multi-conditional generative transformer for de novo molecular design" (https://doi.o…☆26Updated 10 months ago
- Benchmarking code accompanying the release of `bioemu`☆26Updated 2 weeks ago
- Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]☆21Updated 3 months ago
- Composing Unbalanced Flows for Flexible Docking and Relaxation (ICLR 2025)☆37Updated 3 weeks ago