Honza-R / PL-REX
Data set of protein-ligand complexes with reliable experimental structures and affinities
☆27Updated last week
Related projects ⓘ
Alternatives and complementary repositories for PL-REX
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆43Updated 2 years ago
- Code and datasets from the manuscript "Comparing IC50 or Ki values from different sources is a source of significant noise".☆30Updated 10 months ago
- Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening☆35Updated last year
- Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design☆31Updated last week
- Shape-based alignment of molecules using 3D point-based representation☆19Updated 8 months ago
- Python 3 fork for the preparation scripts contained in AutoDockTools☆20Updated 3 years ago
- Dynamic pharmacophore modeling of molecular interactions☆31Updated 6 months ago
- InteractionDrawer is a JavaScript library for the drawing of highly interactive 2D ligand interaction diagrams.☆17Updated last year
- ☆33Updated 8 months ago
- Software tools for fragment-based drug discovery (FBDD)☆27Updated 4 years ago
- All in one Structure-Based Virtual Screening workflow based on the concept of consensus docking.