CQ-zhang-2016 / Rag2MolLinks
Structure-based drug design based on Retrieval Augmented Generation
☆24Updated 2 months ago
Alternatives and similar repositories for Rag2Mol
Users that are interested in Rag2Mol are comparing it to the libraries listed below
Sorting:
- ☆23Updated 3 months ago
- Autoregressive fragment-based diffusion for target-aware ligand design☆32Updated last year
- Benchmarking compound activity prediction for real-world drug discovery applications☆14Updated last year
- Interface-aware molecular generative framework for protein-protein interaction modulators☆18Updated last year
- ☆41Updated 9 months ago
- ☆28Updated 2 years ago
- ☆22Updated 2 years ago
- ☆17Updated last year
- ☆15Updated 2 years ago
- ☆40Updated 7 months ago
- ☆12Updated 7 months ago
- ☆25Updated last month
- ☆17Updated 3 years ago
- Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse☆12Updated last year
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆46Updated 7 months ago
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆30Updated 9 months ago
- ☆26Updated last year
- ☆38Updated last year
- scripts to find PBD structures for cancer driver proteins☆31Updated last month
- ☆12Updated last year
- ☆11Updated 3 years ago
- DeepCoSI: a Structure-based Deep Graph Learning Network Method for Covalent Binding Site Identification.☆14Updated 2 years ago
- ☆31Updated 4 months ago
- ☆18Updated last year
- ☆17Updated 3 years ago
- ☆28Updated 3 years ago
- Automatic extraction of interacting compound-target pairs from ChEMBL.☆21Updated 3 months ago
- SIU: A Million-Scale Structural Small Molecule-Protein Interaction Dataset for Unbiased Bioactivity Prediction☆17Updated 11 months ago
- ☆21Updated last year
- Official repository for the paper "Peptide design through binding interface mimicry with PepMimic" accepted by Nature Biomedical Engineer…☆21Updated 3 months ago