tiantz17 / CARALinks
Benchmarking compound activity prediction for real-world drug discovery applications
☆14Updated last year
Alternatives and similar repositories for CARA
Users that are interested in CARA are comparing it to the libraries listed below
Sorting:
- Interface-aware molecular generative framework for protein-protein interaction modulators☆18Updated last year
- ☆22Updated 2 years ago
- ☆41Updated 9 months ago
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆14Updated 2 years ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆46Updated 7 months ago
- ☆17Updated last year
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆30Updated 9 months ago
- ☆28Updated 2 years ago
- Comprehensive cardiotoxicity prediction tool of small molecules on three targets: hERG, Nav1.5, Cav1.2☆20Updated last year
- ☆26Updated last year
- ☆21Updated last year
- scripts to find PBD structures for cancer driver proteins☆31Updated last month
- A Multi-Task Generative model for Structure-Based Drug Design☆57Updated this week
- PROTACable is an end-to-end in-silico design toolkit for novel PROTACs☆29Updated last year
- ☆12Updated last year
- ☆28Updated 2 years ago
- Small molecules discovery with different active deep learning strategies. Codebase for the paper: "Traversing chemical space with active …☆28Updated last year
- ☆53Updated 8 months ago
- ☆18Updated last year
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆49Updated 3 months ago
- Kinase–drug binding prediction with calibrated uncertainty quantification☆23Updated last year
- ☆28Updated 3 years ago
- ☆58Updated 9 months ago
- Integrative modeling of PROTAC-mediated ternary complex☆28Updated 3 years ago
- Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"☆24Updated 2 years ago
- ☆38Updated last year
- ☆32Updated last year
- ML-guided visual inspection for molecular docking☆21Updated 7 months ago
- Implementation for SuperWater☆38Updated last week
- Binding pocket optimization based on force fields and docking scoring functions☆37Updated 10 months ago