predict_product
Predict chemical reaction products by providing reactant SMILES and optional reagent SMILES. Returns top predicted product structures.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| model_dir | No | ||
| num_beams | No | ||
| num_preds | No | ||
| reagents_smiles | No | ||
| reactants_smiles | Yes |