pathway_prediction_in_batch_mode
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pathway_prediction_in_batch_mode [2025/04/29 09:05] – shankar | pathway_prediction_in_batch_mode [2025/04/29 13:31] (current) – shankar | ||
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- | * **Input file**: A .tsv file containing SMILES strings and compound names,** without a header**. A template input file can be downloaded [[https:// | + | * **Input file**: A .tsv file containing SMILES strings and compound names,** without a header**. A **template input file** can be downloaded [[https:// |
* **Relative Reasoning model**: The relative reasoning model that will be used for the predictions. A default model is pre-selected, | * **Relative Reasoning model**: The relative reasoning model that will be used for the predictions. A default model is pre-selected, | ||
* **Number of transformation products (TPs)**: The maximum number of TPs to predict per input compound. The default value is set to 30 TPs per compound, but users can choose any number between 1 and 50. | * **Number of transformation products (TPs)**: The maximum number of TPs to predict per input compound. The default value is set to 30 TPs per compound, but users can choose any number between 1 and 50. |
pathway_prediction_in_batch_mode.txt · Last modified: 2025/04/29 13:31 by shankar