Enter a simple name to identify this docking job. For example, 'diffdock_test1'.
Upload one or more protein structure files in .pdb format. Drag and drop or click to select. For beginners, uploading a single PDB file is recommended.
Drag & Drop or Click to Browse (Supported: .pdb)
Input the SMILES strings representing the structures of ligands to dock. Click '+ Add sequence' to add one or more ligands. For example, ethanol is represented as 'CCO'.
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Set the number of docking pose samples to generate. You can input a value between 1 and 20. It is recommended to start with around 5 samples for initial testing.
