diffdock
DiffDock and DiffDock-L molecular docking. Use for protein-small-molecule pose prediction from PDB or sequence plus SMILES/SDF/MOL2, batch docking, virtual screening, and pose-confidence interpretation. Not for binding affinity prediction.
Details
- Path
- skills/diffdock
- License
- MIT license
- Allowed tools
- 6
- Bundled scripts
- 3
- Dependencies
- 3
Allowed tools
ReadWriteEditBashGlobGrep
Bundled scripts
- skills/diffdock/scripts/analyze_results.py
- skills/diffdock/scripts/setup_check.py
- skills/diffdock/scripts/prepare_batch_csv.py