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De Novo Generation
1
Generation type
Pocket-guided generation
Molecule-guided generation
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2
Inputs
Method
DiffSBDD
De novo generation
Preserve 3D fragment
Target structure · PDB / ENT
Choose PDB file
Reference ligand · SDF
Choose reference ligand
Pocket residues
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3
Parameters
Number of molecules
Batch size
Ligand atoms
Sanitize structures
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4
Task
Task name (optional)
Mode
Pocket-guided generation
Method
DiffSBDD
Molecules
100
Batch size
20
Retention
De novo
Notification email
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