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Generation Configuration
Protein PDB File
Upload the target protein PDB file with 3D structure information.
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Reference Ligand File (Optional)
Upload a known active ligand to help the model identify binding-site characteristics.
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Tip: Providing a reference ligand usually improves molecular generation quality.
Binding Site Center (Optional)
Enter 3D coordinates of the binding site, or provide a reference ligand for auto-detection.
Tip: Providing binding-site center coordinates usually improves molecular generation quality.
Number of Molecules
Set the number of molecules to generate (50-1000). Recommended: 100-300.
Advanced Parameters
Set target molecular property constraints.
>>
LogP
TPSA
ROTB
FSP3
HBA
HBD
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Generated 3D molecules will appear here after the run completes.
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