Rose-STL-Lab / FS-CAPLinks
few-shot compound activity regression
☆13Updated last year
Alternatives and similar repositories for FS-CAP
Users that are interested in FS-CAP are comparing it to the libraries listed below
Sorting:
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆34Updated 11 months ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆40Updated 3 months ago
- This is the first model that can simultaneously predict the RMSD of the ligand docking pose and the binding strength against the target.☆19Updated 9 months ago
- ☆51Updated 4 months ago
- This is a GitHub Repository containing the data and code used for a thorough comparison of 11 ligand binding site prediction tools☆16Updated 10 months ago
- ☆32Updated 2 years ago
- Kinase–drug binding prediction with calibrated uncertainty quantification☆23Updated last year
- A distance distribution-based visualization method for atomic pair energy and precise prediction of absolute binding free energy.☆13Updated 8 months ago
- PROTACable is an end-to-end in-silico design toolkit for novel PROTACs☆29Updated last year