5AGE-zhang / TocoDecoyLinks
☆12Updated 3 years ago
Alternatives and similar repositories for TocoDecoy
Users that are interested in TocoDecoy are comparing it to the libraries listed below
Sorting:
- ☆16Updated last year
- ☆21Updated 2 years ago
- DeepCoSI: a Structure-based Deep Graph Learning Network Method for Covalent Binding Site Identification.☆14Updated 2 years ago
- Benchmarking compound activity prediction for real-world drug discovery applications☆14Updated last year
- ☆52Updated 7 months ago
- ☆41Updated 8 months ago
- Interface-aware molecular generative framework for protein-protein interaction modulators☆18Updated 11 months ago
- ☆26Updated 3 years ago
- Improving protein–ligand docking and screening accuracies by incorporating a scoring function correction term☆29Updated last year
- ☆25Updated last year
- A toolkit developed to predict and analyze PROTAC-mediated ternary complexes using AlphaFold3 and Boltz-1.☆36Updated 4 months ago
- ☆27Updated 2 years ago
- ☆33Updated last year
- Integrative modeling of PROTAC-mediated ternary complex☆28Updated 3 years ago
- ☆17Updated 2 years ago
- ☆32Updated 2 years ago
- Small molecules discovery with different active deep learning strategies. Codebase for the paper: "Traversing chemical space with active …☆28Updated last year
- ☆12Updated last year
- Autoregressive fragment-based diffusion for target-aware ligand design☆31Updated last year
- Optimization of binding affinities in chemical space for drug discovery☆35Updated 2 years ago
- ☆28Updated 3 years ago
- ☆22Updated 3 years ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆45Updated 5 months ago
- ☆31Updated 3 months ago
- PROTACable is an end-to-end in-silico design toolkit for novel PROTACs☆29Updated last year
- COMA: Efficient Structure-constrained Molecular Generation using Contractive and Margin losses☆18Updated 2 years ago
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆28Updated 8 months ago
- ☆38Updated 4 years ago
- Quantitative Estimate Index for Early-Stage Screening of Compounds Targeting Protein-Protein Interactions☆18Updated 2 years ago
- ☆17Updated 3 years ago